4-tert-butyl-6-(cyclobutylmethyl)pyrimidine;4-tert-butyl-N-cyclobutyl-6-morpholin-4-ylpyridin-2-amine;4-tert-butyl-2-cyclobutyloxypyridine;6-tert-butyl-N-(2-methoxyethyl)pyrimidin-4-amine;4-tert-butyl-5-methyl-2-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyridine;4-tert-butyl-N-methyl-N-(5,5,5-trifluoropentyl)pyridin-2-amine;4-tert-butyl-6-[[(3S)-oxolan-3-yl]methyl]pyrimidine;N-(6-tert-butylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine;N-(6-tert-butylpyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine

C123H197F6N23O4 — CID 159301631

IUPAC4-tert-butyl-6-(cyclobutylmethyl)pyrimidine;4-tert-butyl-N-cyclobutyl-6-morpholin-4-ylpyridin-2-amine;4-tert-butyl-2-cyclobutyloxypyridine;6-tert-butyl-N-(2-methoxyethyl)pyrimidin-4-amine;4-tert-butyl-5-methyl-2-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyridine;4-tert-butyl-N-methyl-N-(5,5,5-trifluoropentyl)pyridin-2-amine;4-tert-butyl-6-[[(3S)-oxolan-3-yl]methyl]pyrimidine;N-(6-tert-butylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine;N-(6-tert-butylpyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
SMILESCC(C)(C)c1cc(CC2CCC2)ncn1.CC(C)(C)c1cc(C[C@H]2CCOC2)ncn1.CC(C)(C)c1cc(NC2CCC2)nc(N2CCOCC2)c1.CC(C)(C)c1ccnc(OC2CCC2)c1.CN(C)CCCNc1cc(C(C)(C)C)ncn1.CN(C)CCNc1cc(C(C)(C)C)ncn1.CN(CCCCC(F)(F)F)c1cc(C(C)(C)C)ccn1.COCCNc1cc(C(C)(C)C)ncn1.Cc1cnc(CC2CN(CC(F)(F)F)C2)cc1C(C)(C)C
InChIInChI=1S/C17H27N3O.C16H23F3N2.C15H23F3N2.C13H24N4.C13H20N2O.C13H20N2.C13H19NO.C12H22N4.C11H19N3O/c1-17(2,3)13-11-15(18-14-5-4-6-14)19-16(12-13)20-7-9-21-10-8-20;1-11-7-20-13(6-14(11)15(2,3)4)5-12-8-21(9-12)10-16(17,18)19;1-14(2,3)12-7-9-19-13(11-12)20(4)10-6-5-8-15(16,17)18;1-13(2,3)11-9-12(16-10-15-11)14-7-6-8-17(4)5;1-13(2,3)12-7-11(14-9-15-12)6-10-4-5-16-8-10;1-13(2,3)12-8-11(14-9-15-12)7-10-5-4-6-10;1-13(2,3)10-7-8-14-12(9-10)15-11-5-4-6-11;1-12(2,3)10-8-11(15-9-14-10)13-6-7-16(4)5;1-11(2,3)9-7-10(14-8-13-9)12-5-6-15-4/h11-12,14H,4-10H2,1-3H3,(H,18,19);6-7,12H,5,8-10H2,1-4H3;7,9,11H,5-6,8,10H2,1-4H3;9-10H,6-8H2,1-5H3,(H,14,15,16);7,9-10H,4-6,8H2,1-3H3;8-10H,4-7H2,1-3H3;7-9,11H,4-6H2,1-3H3;8-9H,6-7H2,1-5H3,(H,13,14,15);7-8H,5-6H2,1-4H3,(H,12,13,14)/t;;;;10-;;;;/m....1..../s1
InChIKeyLBKHTQSPKQQUGW-OKHQDXELSA-N
MW2176.07 g/mol
LogP25.95
Rot. Bonds30

About 4-tert-butyl-6-(cyclobutylmethyl)pyrimidine;4-tert-butyl-N-cyclobutyl-6-morpholin-4-ylpyridin-2-amine;4-tert-butyl-2-cyclobutyloxypyridine;6-tert-butyl-N-(2-methoxyethyl)pyrimidin-4-amine;4-tert-butyl-5-methyl-2-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyridine;4-tert-butyl-N-methyl-N-(5,5,5-trifluoropentyl)pyridin-2-amine;4-tert-butyl-6-[[(3S)-oxolan-3-yl]methyl]pyrimidine;N-(6-tert-butylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine;N-(6-tert-butylpyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine

4-tert-butyl-6-(cyclobutylmethyl)pyrimidine;4-tert-butyl-N-cyclobutyl-6-morpholin-4-ylpyridin-2-amine;4-tert-butyl-2-cyclobutyloxypyridine;6-tert-butyl-N-(2-methoxyethyl)pyrimidin-4-amine;4-tert-butyl-5-methyl-2-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyridine;4-tert-butyl-N-methyl-N-(5,5,5-trifluoropentyl)pyridin-2-amine;4-tert-butyl-6-[[(3S)-oxolan-3-yl]methyl]pyrimidine;N-(6-tert-butylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine;N-(6-tert-butylpyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine (PubChem CID 159301631) has the molecular formula C123H197F6N23O4 and a molecular weight of 2176.07 g/mol. Its IUPAC name is 4-tert-butyl-6-(cyclobutylmethyl)pyrimidine;4-tert-butyl-N-cyclobutyl-6-morpholin-4-ylpyridin-2-amine;4-tert-butyl-2-cyclobutyloxypyridine;6-tert-butyl-N-(2-methoxyethyl)pyrimidin-4-amine;4-tert-butyl-5-methyl-2-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyridine;4-tert-butyl-N-methyl-N-(5,5,5-trifluoropentyl)pyridin-2-amine;4-tert-butyl-6-[[(3S)-oxolan-3-yl]methyl]pyrimidine;N-(6-tert-butylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine;N-(6-tert-butylpyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound Name4-tert-butyl-6-(cyclobutylmethyl)pyrimidine;4-tert-butyl-N-cyclobutyl-6-morpholin-4-ylpyridin-2-amine;4-tert-butyl-2-cyclobutyloxypyridine;6-tert-butyl-N-(2-methoxyethyl)pyrimidin-4-amine;4-tert-butyl-5-methyl-2-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyridine;4-tert-butyl-N-methyl-N-(5,5,5-trifluoropentyl)pyridin-2-amine;4-tert-butyl-6-[[(3S)-oxolan-3-yl]methyl]pyrimidine;N-(6-tert-butylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine;N-(6-tert-butylpyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
PubChem CID159301631
Molecular FormulaC123H197F6N23O4
Molecular Weight2176.07 g/mol
Exact Mass2174.58
IUPAC Name4-tert-butyl-6-(cyclobutylmethyl)pyrimidine;4-tert-butyl-N-cyclobutyl-6-morpholin-4-ylpyridin-2-amine;4-tert-butyl-2-cyclobutyloxypyridine;6-tert-butyl-N-(2-methoxyethyl)pyrimidin-4-amine;4-tert-butyl-5-methyl-2-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyridine;4-tert-butyl-N-methyl-N-(5,5,5-trifluoropentyl)pyridin-2-amine;4-tert-butyl-6-[[(3S)-oxolan-3-yl]methyl]pyrimidine;N-(6-tert-butylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine;N-(6-tert-butylpyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
SMILESCC(C)(C)c1cc(CC2CCC2)ncn1.CC(C)(C)c1cc(C[C@H]2CCOC2)ncn1.CC(C)(C)c1cc(NC2CCC2)nc(N2CCOCC2)c1.CC(C)(C)c1ccnc(OC2CCC2)c1.CN(C)CCCNc1cc(C(C)(C)C)ncn1.CN(C)CCNc1cc(C(C)(C)C)ncn1.CN(CCCCC(F)(F)F)c1cc(C(C)(C)C)ccn1.COCCNc1cc(C(C)(C)C)ncn1.Cc1cnc(CC2CN(CC(F)(F)F)C2)cc1C(C)(C)C
InChIInChI=1S/C17H27N3O.C16H23F3N2.C15H23F3N2.C13H24N4.C13H20N2O.C13H20N2.C13H19NO.C12H22N4.C11H19N3O/c1-17(2,3)13-11-15(18-14-5-4-6-14)19-16(12-13)20-7-9-21-10-8-20;1-11-7-20-13(6-14(11)15(2,3)4)5-12-8-21(9-12)10-16(17,18)19;1-14(2,3)12-7-9-19-13(11-12)20(4)10-6-5-8-15(16,17)18;1-13(2,3)11-9-12(16-10-15-11)14-7-6-8-17(4)5;1-13(2,3)12-7-11(14-9-15-12)6-10-4-5-16-8-10;1-13(2,3)12-8-11(14-9-15-12)7-10-5-4-6-10;1-13(2,3)10-7-8-14-12(9-10)15-11-5-4-6-11;1-12(2,3)10-8-11(15-9-14-10)13-6-7-16(4)5;1-11(2,3)9-7-10(14-8-13-9)12-5-6-15-4/h11-12,14H,4-10H2,1-3H3,(H,18,19);6-7,12H,5,8-10H2,1-4H3;7,9,11H,5-6,8,10H2,1-4H3;9-10H,6-8H2,1-5H3,(H,14,15,16);7,9-10H,4-6,8H2,1-3H3;8-10H,4-7H2,1-3H3;7-9,11H,4-6H2,1-3H3;8-9H,6-7H2,1-5H3,(H,13,14,15);7-8H,5-6H2,1-4H3,(H,12,13,14)/t;;;;10-;;;;/m....1..../s1
InChIKeyLBKHTQSPKQQUGW-OKHQDXELSA-N
XLogP25.95
TPSA281.70 Ų
H-Bond Donors4
H-Bond Acceptors27
Rotatable Bonds30
Heavy Atoms156
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002176.07
LogP ≤ 525.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-tert-butyl-6-(cyclobutylmethyl)pyrimidine;4-tert-butyl-N-cyclobutyl-6-morpholin-4-ylpyridin-2-amine;4-tert-butyl-2-cyclobutyloxypyridine;6-tert-butyl-N-(2-methoxyethyl)pyrimidin-4-amine;4-tert-butyl-5-methyl-2-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyridine;4-tert-butyl-N-methyl-N-(5,5,5-trifluoropentyl)pyridin-2-amine;4-tert-butyl-6-[[(3S)-oxolan-3-yl]methyl]pyrimidine;N-(6-tert-butylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine;N-(6-tert-butylpyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-6-(cyclobutylmethyl)pyrimidine;4-tert-butyl-N-cyclobutyl-6-morpholin-4-ylpyridin-2-amine;4-tert-butyl-2-cyclobutyloxypyridine;6-tert-butyl-N-(2-methoxyethyl)pyrimidin-4-amine;4-tert-butyl-5-methyl-2-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyridine;4-tert-butyl-N-methyl-N-(5,5,5-trifluoropentyl)pyridin-2-amine;4-tert-butyl-6-[[(3S)-oxolan-3-yl]methyl]pyrimidine;N-(6-tert-butylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine;N-(6-tert-butylpyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of 4-tert-butyl-6-(cyclobutylmethyl)pyrimidine;4-tert-butyl-N-cyclobutyl-6-morpholin-4-ylpyridin-2-amine;4-tert-butyl-2-cyclobutyloxypyridine;6-tert-butyl-N-(2-methoxyethyl)pyrimidin-4-amine;4-tert-butyl-5-methyl-2-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyridine;4-tert-butyl-N-methyl-N-(5,5,5-trifluoropentyl)pyridin-2-amine;4-tert-butyl-6-[[(3S)-oxolan-3-yl]methyl]pyrimidine;N-(6-tert-butylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine;N-(6-tert-butylpyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine (CID 159301631) is 4-tert-butyl-6-(cyclobutylmethyl)pyrimidine;4-tert-butyl-N-cyclobutyl-6-morpholin-4-ylpyridin-2-amine;4-tert-butyl-2-cyclobutyloxypyridine;6-tert-butyl-N-(2-methoxyethyl)pyrimidin-4-amine;4-tert-butyl-5-methyl-2-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyridine;4-tert-butyl-N-methyl-N-(5,5,5-trifluoropentyl)pyridin-2-amine;4-tert-butyl-6-[[(3S)-oxolan-3-yl]methyl]pyrimidine;N-(6-tert-butylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine;N-(6-tert-butylpyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for 4-tert-butyl-6-(cyclobutylmethyl)pyrimidine;4-tert-butyl-N-cyclobutyl-6-morpholin-4-ylpyridin-2-amine;4-tert-butyl-2-cyclobutyloxypyridine;6-tert-butyl-N-(2-methoxyethyl)pyrimidin-4-amine;4-tert-butyl-5-methyl-2-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyridine;4-tert-butyl-N-methyl-N-(5,5,5-trifluoropentyl)pyridin-2-amine;4-tert-butyl-6-[[(3S)-oxolan-3-yl]methyl]pyrimidine;N-(6-tert-butylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine;N-(6-tert-butylpyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for 4-tert-butyl-6-(cyclobutylmethyl)pyrimidine;4-tert-butyl-N-cyclobutyl-6-morpholin-4-ylpyridin-2-amine;4-tert-butyl-2-cyclobutyloxypyridine;6-tert-butyl-N-(2-methoxyethyl)pyrimidin-4-amine;4-tert-butyl-5-methyl-2-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyridine;4-tert-butyl-N-methyl-N-(5,5,5-trifluoropentyl)pyridin-2-amine;4-tert-butyl-6-[[(3S)-oxolan-3-yl]methyl]pyrimidine;N-(6-tert-butylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine;N-(6-tert-butylpyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine is CC(C)(C)c1cc(CC2CCC2)ncn1.CC(C)(C)c1cc(C[C@H]2CCOC2)ncn1.CC(C)(C)c1cc(NC2CCC2)nc(N2CCOCC2)c1.CC(C)(C)c1ccnc(OC2CCC2)c1.CN(C)CCCNc1cc(C(C)(C)C)ncn1.CN(C)CCNc1cc(C(C)(C)C)ncn1.CN(CCCCC(F)(F)F)c1cc(C(C)(C)C)ccn1.COCCNc1cc(C(C)(C)C)ncn1.Cc1cnc(CC2CN(CC(F)(F)F)C2)cc1C(C)(C)C.
What is the InChIKey of 4-tert-butyl-6-(cyclobutylmethyl)pyrimidine;4-tert-butyl-N-cyclobutyl-6-morpholin-4-ylpyridin-2-amine;4-tert-butyl-2-cyclobutyloxypyridine;6-tert-butyl-N-(2-methoxyethyl)pyrimidin-4-amine;4-tert-butyl-5-methyl-2-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyridine;4-tert-butyl-N-methyl-N-(5,5,5-trifluoropentyl)pyridin-2-amine;4-tert-butyl-6-[[(3S)-oxolan-3-yl]methyl]pyrimidine;N-(6-tert-butylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine;N-(6-tert-butylpyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is LBKHTQSPKQQUGW-OKHQDXELSA-N. The full InChI is InChI=1S/C17H27N3O.C16H23F3N2.C15H23F3N2.C13H24N4.C13H20N2O.C13H20N2.C13H19NO.C12H22N4.C11H19N3O/c1-17(2,3)13-11-15(18-14-5-4-6-14)19-16(12-13)20-7-9-21-10-8-20;1-11-7-20-13(6-14(11)15(2,3)4)5-12-8-21(9-12)10-16(17,18)19;1-14(2,3)12-7-9-19-13(11-12)20(4)10-6-5-8-15(16,17)18;1-13(2,3)11-9-12(16-10-15-11)14-7-6-8-17(4)5;1-13(2,3)12-7-11(14-9-15-12)6-10-4-5-16-8-10;1-13(2,3)12-8-11(14-9-15-12)7-10-5-4-6-10;1-13(2,3)10-7-8-14-12(9-10)15-11-5-4-6-11;1-12(2,3)10-8-11(15-9-14-10)13-6-7-16(4)5;1-11(2,3)9-7-10(14-8-13-9)12-5-6-15-4/h11-12,14H,4-10H2,1-3H3,(H,18,19);6-7,12H,5,8-10H2,1-4H3;7,9,11H,5-6,8,10H2,1-4H3;9-10H,6-8H2,1-5H3,(H,14,15,16);7,9-10H,4-6,8H2,1-3H3;8-10H,4-7H2,1-3H3;7-9,11H,4-6H2,1-3H3;8-9H,6-7H2,1-5H3,(H,13,14,15);7-8H,5-6H2,1-4H3,(H,12,13,14)/t;;;;10-;;;;/m....1..../s1.
What are the key properties of 4-tert-butyl-6-(cyclobutylmethyl)pyrimidine;4-tert-butyl-N-cyclobutyl-6-morpholin-4-ylpyridin-2-amine;4-tert-butyl-2-cyclobutyloxypyridine;6-tert-butyl-N-(2-methoxyethyl)pyrimidin-4-amine;4-tert-butyl-5-methyl-2-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyridine;4-tert-butyl-N-methyl-N-(5,5,5-trifluoropentyl)pyridin-2-amine;4-tert-butyl-6-[[(3S)-oxolan-3-yl]methyl]pyrimidine;N-(6-tert-butylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine;N-(6-tert-butylpyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine?
4-tert-butyl-6-(cyclobutylmethyl)pyrimidine;4-tert-butyl-N-cyclobutyl-6-morpholin-4-ylpyridin-2-amine;4-tert-butyl-2-cyclobutyloxypyridine;6-tert-butyl-N-(2-methoxyethyl)pyrimidin-4-amine;4-tert-butyl-5-methyl-2-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyridine;4-tert-butyl-N-methyl-N-(5,5,5-trifluoropentyl)pyridin-2-amine;4-tert-butyl-6-[[(3S)-oxolan-3-yl]methyl]pyrimidine;N-(6-tert-butylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine;N-(6-tert-butylpyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 2176.07 g/mol, XLogP of 25.95, 30 rotatable bonds, 4 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-6-(cyclobutylmethyl)pyrimidine;4-tert-butyl-N-cyclobutyl-6-morpholin-4-ylpyridin-2-amine;4-tert-butyl-2-cyclobutyloxypyridine;6-tert-butyl-N-(2-methoxyethyl)pyrimidin-4-amine;4-tert-butyl-5-methyl-2-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyridine;4-tert-butyl-N-methyl-N-(5,5,5-trifluoropentyl)pyridin-2-amine;4-tert-butyl-6-[[(3S)-oxolan-3-yl]methyl]pyrimidine;N-(6-tert-butylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine;N-(6-tert-butylpyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 159301631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).