4-(4-tert-butylphenyl)-6-ethylpyrimidin-2-amine;4-(3,4-dichlorophenyl)-6-ethylpyrimidin-2-amine;6-(2,4-dichlorophenyl)-4-N-methylpyrimidine-2,4-diamine;4-(2,3-dichlorophenyl)-6-(oxolan-3-ylmethyl)pyrimidin-2-amine;4-ethyl-6-(4-methylphenyl)pyrimidin-2-amine;4-ethyl-6-(2,4,5-trifluorophenyl)pyrimidin-2-amine

C79H82Cl6F3N19O — CID 159912663

IUPAC4-(4-tert-butylphenyl)-6-ethylpyrimidin-2-amine;4-(3,4-dichlorophenyl)-6-ethylpyrimidin-2-amine;6-(2,4-dichlorophenyl)-4-N-methylpyrimidine-2,4-diamine;4-(2,3-dichlorophenyl)-6-(oxolan-3-ylmethyl)pyrimidin-2-amine;4-ethyl-6-(4-methylphenyl)pyrimidin-2-amine;4-ethyl-6-(2,4,5-trifluorophenyl)pyrimidin-2-amine
SMILESCCc1cc(-c2cc(F)c(F)cc2F)nc(N)n1.CCc1cc(-c2ccc(C(C)(C)C)cc2)nc(N)n1.CCc1cc(-c2ccc(C)cc2)nc(N)n1.CCc1cc(-c2ccc(Cl)c(Cl)c2)nc(N)n1.CNc1cc(-c2ccc(Cl)cc2Cl)nc(N)n1.Nc1nc(CC2CCOC2)cc(-c2cccc(Cl)c2Cl)n1
InChIInChI=1S/C16H21N3.C15H15Cl2N3O.C13H15N3.C12H11Cl2N3.C12H10F3N3.C11H10Cl2N4/c1-5-13-10-14(19-15(17)18-13)11-6-8-12(9-7-11)16(2,3)4;16-12-3-1-2-11(14(12)17)13-7-10(19-15(18)20-13)6-9-4-5-21-8-9;1-3-11-8-12(16-13(14)15-11)10-6-4-9(2)5-7-10;1-2-8-6-11(17-12(15)16-8)7-3-4-9(13)10(14)5-7;1-2-6-3-11(18-12(16)17-6)7-4-9(14)10(15)5-8(7)13;1-15-10-5-9(16-11(14)17-10)7-3-2-6(12)4-8(7)13/h6-10H,5H2,1-4H3,(H2,17,18,19);1-3,7,9H,4-6,8H2,(H2,18,19,20);4-8H,3H2,1-2H3,(H2,14,15,16);3-6H,2H2,1H3,(H2,15,16,17);3-5H,2H2,1H3,(H2,16,17,18);2-5H,1H3,(H3,14,15,16,17)
InChIKeyNXJKEDONINXOSO-UHFFFAOYSA-N
MW1583.37 g/mol
LogP19.17
Rot. Bonds13

About 4-(4-tert-butylphenyl)-6-ethylpyrimidin-2-amine;4-(3,4-dichlorophenyl)-6-ethylpyrimidin-2-amine;6-(2,4-dichlorophenyl)-4-N-methylpyrimidine-2,4-diamine;4-(2,3-dichlorophenyl)-6-(oxolan-3-ylmethyl)pyrimidin-2-amine;4-ethyl-6-(4-methylphenyl)pyrimidin-2-amine;4-ethyl-6-(2,4,5-trifluorophenyl)pyrimidin-2-amine

4-(4-tert-butylphenyl)-6-ethylpyrimidin-2-amine;4-(3,4-dichlorophenyl)-6-ethylpyrimidin-2-amine;6-(2,4-dichlorophenyl)-4-N-methylpyrimidine-2,4-diamine;4-(2,3-dichlorophenyl)-6-(oxolan-3-ylmethyl)pyrimidin-2-amine;4-ethyl-6-(4-methylphenyl)pyrimidin-2-amine;4-ethyl-6-(2,4,5-trifluorophenyl)pyrimidin-2-amine (PubChem CID 159912663) has the molecular formula C79H82Cl6F3N19O and a molecular weight of 1583.37 g/mol. Its IUPAC name is 4-(4-tert-butylphenyl)-6-ethylpyrimidin-2-amine;4-(3,4-dichlorophenyl)-6-ethylpyrimidin-2-amine;6-(2,4-dichlorophenyl)-4-N-methylpyrimidine-2,4-diamine;4-(2,3-dichlorophenyl)-6-(oxolan-3-ylmethyl)pyrimidin-2-amine;4-ethyl-6-(4-methylphenyl)pyrimidin-2-amine;4-ethyl-6-(2,4,5-trifluorophenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-tert-butylphenyl)-6-ethylpyrimidin-2-amine;4-(3,4-dichlorophenyl)-6-ethylpyrimidin-2-amine;6-(2,4-dichlorophenyl)-4-N-methylpyrimidine-2,4-diamine;4-(2,3-dichlorophenyl)-6-(oxolan-3-ylmethyl)pyrimidin-2-amine;4-ethyl-6-(4-methylphenyl)pyrimidin-2-amine;4-ethyl-6-(2,4,5-trifluorophenyl)pyrimidin-2-amine
PubChem CID159912663
Molecular FormulaC79H82Cl6F3N19O
Molecular Weight1583.37 g/mol
Exact Mass1579.50
IUPAC Name4-(4-tert-butylphenyl)-6-ethylpyrimidin-2-amine;4-(3,4-dichlorophenyl)-6-ethylpyrimidin-2-amine;6-(2,4-dichlorophenyl)-4-N-methylpyrimidine-2,4-diamine;4-(2,3-dichlorophenyl)-6-(oxolan-3-ylmethyl)pyrimidin-2-amine;4-ethyl-6-(4-methylphenyl)pyrimidin-2-amine;4-ethyl-6-(2,4,5-trifluorophenyl)pyrimidin-2-amine
SMILESCCc1cc(-c2cc(F)c(F)cc2F)nc(N)n1.CCc1cc(-c2ccc(C(C)(C)C)cc2)nc(N)n1.CCc1cc(-c2ccc(C)cc2)nc(N)n1.CCc1cc(-c2ccc(Cl)c(Cl)c2)nc(N)n1.CNc1cc(-c2ccc(Cl)cc2Cl)nc(N)n1.Nc1nc(CC2CCOC2)cc(-c2cccc(Cl)c2Cl)n1
InChIInChI=1S/C16H21N3.C15H15Cl2N3O.C13H15N3.C12H11Cl2N3.C12H10F3N3.C11H10Cl2N4/c1-5-13-10-14(19-15(17)18-13)11-6-8-12(9-7-11)16(2,3)4;16-12-3-1-2-11(14(12)17)13-7-10(19-15(18)20-13)6-9-4-5-21-8-9;1-3-11-8-12(16-13(14)15-11)10-6-4-9(2)5-7-10;1-2-8-6-11(17-12(15)16-8)7-3-4-9(13)10(14)5-7;1-2-6-3-11(18-12(16)17-6)7-4-9(14)10(15)5-8(7)13;1-15-10-5-9(16-11(14)17-10)7-3-2-6(12)4-8(7)13/h6-10H,5H2,1-4H3,(H2,17,18,19);1-3,7,9H,4-6,8H2,(H2,18,19,20);4-8H,3H2,1-2H3,(H2,14,15,16);3-6H,2H2,1H3,(H2,15,16,17);3-5H,2H2,1H3,(H2,16,17,18);2-5H,1H3,(H3,14,15,16,17)
InChIKeyNXJKEDONINXOSO-UHFFFAOYSA-N
XLogP19.17
TPSA332.06 Ų
H-Bond Donors7
H-Bond Acceptors20
Rotatable Bonds13
Heavy Atoms108
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001583.37
LogP ≤ 519.17
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 4-(4-tert-butylphenyl)-6-ethylpyrimidin-2-amine;4-(3,4-dichlorophenyl)-6-ethylpyrimidin-2-amine;6-(2,4-dichlorophenyl)-4-N-methylpyrimidine-2,4-diamine;4-(2,3-dichlorophenyl)-6-(oxolan-3-ylmethyl)pyrimidin-2-amine;4-ethyl-6-(4-methylphenyl)pyrimidin-2-amine;4-ethyl-6-(2,4,5-trifluorophenyl)pyrimidin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylphenyl)-6-ethylpyrimidin-2-amine;4-(3,4-dichlorophenyl)-6-ethylpyrimidin-2-amine;6-(2,4-dichlorophenyl)-4-N-methylpyrimidine-2,4-diamine;4-(2,3-dichlorophenyl)-6-(oxolan-3-ylmethyl)pyrimidin-2-amine;4-ethyl-6-(4-methylphenyl)pyrimidin-2-amine;4-ethyl-6-(2,4,5-trifluorophenyl)pyrimidin-2-amine?
The IUPAC name of 4-(4-tert-butylphenyl)-6-ethylpyrimidin-2-amine;4-(3,4-dichlorophenyl)-6-ethylpyrimidin-2-amine;6-(2,4-dichlorophenyl)-4-N-methylpyrimidine-2,4-diamine;4-(2,3-dichlorophenyl)-6-(oxolan-3-ylmethyl)pyrimidin-2-amine;4-ethyl-6-(4-methylphenyl)pyrimidin-2-amine;4-ethyl-6-(2,4,5-trifluorophenyl)pyrimidin-2-amine (CID 159912663) is 4-(4-tert-butylphenyl)-6-ethylpyrimidin-2-amine;4-(3,4-dichlorophenyl)-6-ethylpyrimidin-2-amine;6-(2,4-dichlorophenyl)-4-N-methylpyrimidine-2,4-diamine;4-(2,3-dichlorophenyl)-6-(oxolan-3-ylmethyl)pyrimidin-2-amine;4-ethyl-6-(4-methylphenyl)pyrimidin-2-amine;4-ethyl-6-(2,4,5-trifluorophenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(4-tert-butylphenyl)-6-ethylpyrimidin-2-amine;4-(3,4-dichlorophenyl)-6-ethylpyrimidin-2-amine;6-(2,4-dichlorophenyl)-4-N-methylpyrimidine-2,4-diamine;4-(2,3-dichlorophenyl)-6-(oxolan-3-ylmethyl)pyrimidin-2-amine;4-ethyl-6-(4-methylphenyl)pyrimidin-2-amine;4-ethyl-6-(2,4,5-trifluorophenyl)pyrimidin-2-amine?
The canonical SMILES for 4-(4-tert-butylphenyl)-6-ethylpyrimidin-2-amine;4-(3,4-dichlorophenyl)-6-ethylpyrimidin-2-amine;6-(2,4-dichlorophenyl)-4-N-methylpyrimidine-2,4-diamine;4-(2,3-dichlorophenyl)-6-(oxolan-3-ylmethyl)pyrimidin-2-amine;4-ethyl-6-(4-methylphenyl)pyrimidin-2-amine;4-ethyl-6-(2,4,5-trifluorophenyl)pyrimidin-2-amine is CCc1cc(-c2cc(F)c(F)cc2F)nc(N)n1.CCc1cc(-c2ccc(C(C)(C)C)cc2)nc(N)n1.CCc1cc(-c2ccc(C)cc2)nc(N)n1.CCc1cc(-c2ccc(Cl)c(Cl)c2)nc(N)n1.CNc1cc(-c2ccc(Cl)cc2Cl)nc(N)n1.Nc1nc(CC2CCOC2)cc(-c2cccc(Cl)c2Cl)n1.
What is the InChIKey of 4-(4-tert-butylphenyl)-6-ethylpyrimidin-2-amine;4-(3,4-dichlorophenyl)-6-ethylpyrimidin-2-amine;6-(2,4-dichlorophenyl)-4-N-methylpyrimidine-2,4-diamine;4-(2,3-dichlorophenyl)-6-(oxolan-3-ylmethyl)pyrimidin-2-amine;4-ethyl-6-(4-methylphenyl)pyrimidin-2-amine;4-ethyl-6-(2,4,5-trifluorophenyl)pyrimidin-2-amine?
The InChIKey is NXJKEDONINXOSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3.C15H15Cl2N3O.C13H15N3.C12H11Cl2N3.C12H10F3N3.C11H10Cl2N4/c1-5-13-10-14(19-15(17)18-13)11-6-8-12(9-7-11)16(2,3)4;16-12-3-1-2-11(14(12)17)13-7-10(19-15(18)20-13)6-9-4-5-21-8-9;1-3-11-8-12(16-13(14)15-11)10-6-4-9(2)5-7-10;1-2-8-6-11(17-12(15)16-8)7-3-4-9(13)10(14)5-7;1-2-6-3-11(18-12(16)17-6)7-4-9(14)10(15)5-8(7)13;1-15-10-5-9(16-11(14)17-10)7-3-2-6(12)4-8(7)13/h6-10H,5H2,1-4H3,(H2,17,18,19);1-3,7,9H,4-6,8H2,(H2,18,19,20);4-8H,3H2,1-2H3,(H2,14,15,16);3-6H,2H2,1H3,(H2,15,16,17);3-5H,2H2,1H3,(H2,16,17,18);2-5H,1H3,(H3,14,15,16,17).
What are the key properties of 4-(4-tert-butylphenyl)-6-ethylpyrimidin-2-amine;4-(3,4-dichlorophenyl)-6-ethylpyrimidin-2-amine;6-(2,4-dichlorophenyl)-4-N-methylpyrimidine-2,4-diamine;4-(2,3-dichlorophenyl)-6-(oxolan-3-ylmethyl)pyrimidin-2-amine;4-ethyl-6-(4-methylphenyl)pyrimidin-2-amine;4-ethyl-6-(2,4,5-trifluorophenyl)pyrimidin-2-amine?
4-(4-tert-butylphenyl)-6-ethylpyrimidin-2-amine;4-(3,4-dichlorophenyl)-6-ethylpyrimidin-2-amine;6-(2,4-dichlorophenyl)-4-N-methylpyrimidine-2,4-diamine;4-(2,3-dichlorophenyl)-6-(oxolan-3-ylmethyl)pyrimidin-2-amine;4-ethyl-6-(4-methylphenyl)pyrimidin-2-amine;4-ethyl-6-(2,4,5-trifluorophenyl)pyrimidin-2-amine has a molecular weight of 1583.37 g/mol, XLogP of 19.17, 13 rotatable bonds, 7 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylphenyl)-6-ethylpyrimidin-2-amine;4-(3,4-dichlorophenyl)-6-ethylpyrimidin-2-amine;6-(2,4-dichlorophenyl)-4-N-methylpyrimidine-2,4-diamine;4-(2,3-dichlorophenyl)-6-(oxolan-3-ylmethyl)pyrimidin-2-amine;4-ethyl-6-(4-methylphenyl)pyrimidin-2-amine;4-ethyl-6-(2,4,5-trifluorophenyl)pyrimidin-2-amine is sourced from PubChem (CID 159912663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).