2-tert-butyl-4-piperazin-1-ylpyrimidine;4-tert-butyl-2-piperazin-1-ylpyrimidine;2-tert-butyl-N-piperidin-3-ylpyrimidin-4-amine;2-tert-butyl-4-piperidin-4-ylpyrimidine;4-tert-butyl-6-(1H-pyrazol-4-yl)pyrimidine;1-[(2-tert-butylpyrimidin-5-yl)methyl]pyrrolidin-3-amine;N-(2-tert-butylpyrimidin-4-yl)-1,3-thiazol-2-amine;4-tert-butyl-6-(1H-pyrrol-2-yl)pyrimidine

C97H148N30S — CID 157270163

IUPAC2-tert-butyl-4-piperazin-1-ylpyrimidine;4-tert-butyl-2-piperazin-1-ylpyrimidine;2-tert-butyl-N-piperidin-3-ylpyrimidin-4-amine;2-tert-butyl-4-piperidin-4-ylpyrimidine;4-tert-butyl-6-(1H-pyrazol-4-yl)pyrimidine;1-[(2-tert-butylpyrimidin-5-yl)methyl]pyrrolidin-3-amine;N-(2-tert-butylpyrimidin-4-yl)-1,3-thiazol-2-amine;4-tert-butyl-6-(1H-pyrrol-2-yl)pyrimidine
SMILESCC(C)(C)c1cc(-c2ccc[nH]2)ncn1.CC(C)(C)c1cc(-c2cn[nH]c2)ncn1.CC(C)(C)c1ccnc(N2CCNCC2)n1.CC(C)(C)c1ncc(CN2CCC(N)C2)cn1.CC(C)(C)c1nccc(C2CCNCC2)n1.CC(C)(C)c1nccc(N2CCNCC2)n1.CC(C)(C)c1nccc(NC2CCCNC2)n1.CC(C)(C)c1nccc(Nc2nccs2)n1
InChIInChI=1S/2C13H22N4.C13H21N3.2C12H20N4.C12H15N3.C11H14N4S.C11H14N4/c1-13(2,3)12-15-6-10(7-16-12)8-17-5-4-11(14)9-17;1-13(2,3)12-15-8-6-11(17-12)16-10-5-4-7-14-9-10;1-13(2,3)12-15-9-6-11(16-12)10-4-7-14-8-5-10;1-12(2,3)11-14-5-4-10(15-11)16-8-6-13-7-9-16;1-12(2,3)10-4-5-14-11(15-10)16-8-6-13-7-9-16;1-12(2,3)11-7-10(14-8-15-11)9-5-4-6-13-9;1-11(2,3)9-12-5-4-8(14-9)15-10-13-6-7-16-10;1-11(2,3)10-4-9(12-7-13-10)8-5-14-15-6-8/h6-7,11H,4-5,8-9,14H2,1-3H3;6,8,10,14H,4-5,7,9H2,1-3H3,(H,15,16,17);6,9-10,14H,4-5,7-8H2,1-3H3;2*4-5,13H,6-9H2,1-3H3;4-8,13H,1-3H3;4-7H,1-3H3,(H,12,13,14,15);4-7H,1-3H3,(H,14,15)
InChIKeyAYLCQZIRXVCJEY-UHFFFAOYSA-N
MW1766.53 g/mol
LogP15.76
Rot. Bonds11

About 2-tert-butyl-4-piperazin-1-ylpyrimidine;4-tert-butyl-2-piperazin-1-ylpyrimidine;2-tert-butyl-N-piperidin-3-ylpyrimidin-4-amine;2-tert-butyl-4-piperidin-4-ylpyrimidine;4-tert-butyl-6-(1H-pyrazol-4-yl)pyrimidine;1-[(2-tert-butylpyrimidin-5-yl)methyl]pyrrolidin-3-amine;N-(2-tert-butylpyrimidin-4-yl)-1,3-thiazol-2-amine;4-tert-butyl-6-(1H-pyrrol-2-yl)pyrimidine

2-tert-butyl-4-piperazin-1-ylpyrimidine;4-tert-butyl-2-piperazin-1-ylpyrimidine;2-tert-butyl-N-piperidin-3-ylpyrimidin-4-amine;2-tert-butyl-4-piperidin-4-ylpyrimidine;4-tert-butyl-6-(1H-pyrazol-4-yl)pyrimidine;1-[(2-tert-butylpyrimidin-5-yl)methyl]pyrrolidin-3-amine;N-(2-tert-butylpyrimidin-4-yl)-1,3-thiazol-2-amine;4-tert-butyl-6-(1H-pyrrol-2-yl)pyrimidine (PubChem CID 157270163) has the molecular formula C97H148N30S and a molecular weight of 1766.53 g/mol. Its IUPAC name is 2-tert-butyl-4-piperazin-1-ylpyrimidine;4-tert-butyl-2-piperazin-1-ylpyrimidine;2-tert-butyl-N-piperidin-3-ylpyrimidin-4-amine;2-tert-butyl-4-piperidin-4-ylpyrimidine;4-tert-butyl-6-(1H-pyrazol-4-yl)pyrimidine;1-[(2-tert-butylpyrimidin-5-yl)methyl]pyrrolidin-3-amine;N-(2-tert-butylpyrimidin-4-yl)-1,3-thiazol-2-amine;4-tert-butyl-6-(1H-pyrrol-2-yl)pyrimidine.

Molecular Properties

Compound Name2-tert-butyl-4-piperazin-1-ylpyrimidine;4-tert-butyl-2-piperazin-1-ylpyrimidine;2-tert-butyl-N-piperidin-3-ylpyrimidin-4-amine;2-tert-butyl-4-piperidin-4-ylpyrimidine;4-tert-butyl-6-(1H-pyrazol-4-yl)pyrimidine;1-[(2-tert-butylpyrimidin-5-yl)methyl]pyrrolidin-3-amine;N-(2-tert-butylpyrimidin-4-yl)-1,3-thiazol-2-amine;4-tert-butyl-6-(1H-pyrrol-2-yl)pyrimidine
PubChem CID157270163
Molecular FormulaC97H148N30S
Molecular Weight1766.53 g/mol
Exact Mass1765.22
IUPAC Name2-tert-butyl-4-piperazin-1-ylpyrimidine;4-tert-butyl-2-piperazin-1-ylpyrimidine;2-tert-butyl-N-piperidin-3-ylpyrimidin-4-amine;2-tert-butyl-4-piperidin-4-ylpyrimidine;4-tert-butyl-6-(1H-pyrazol-4-yl)pyrimidine;1-[(2-tert-butylpyrimidin-5-yl)methyl]pyrrolidin-3-amine;N-(2-tert-butylpyrimidin-4-yl)-1,3-thiazol-2-amine;4-tert-butyl-6-(1H-pyrrol-2-yl)pyrimidine
SMILESCC(C)(C)c1cc(-c2ccc[nH]2)ncn1.CC(C)(C)c1cc(-c2cn[nH]c2)ncn1.CC(C)(C)c1ccnc(N2CCNCC2)n1.CC(C)(C)c1ncc(CN2CCC(N)C2)cn1.CC(C)(C)c1nccc(C2CCNCC2)n1.CC(C)(C)c1nccc(N2CCNCC2)n1.CC(C)(C)c1nccc(NC2CCCNC2)n1.CC(C)(C)c1nccc(Nc2nccs2)n1
InChIInChI=1S/2C13H22N4.C13H21N3.2C12H20N4.C12H15N3.C11H14N4S.C11H14N4/c1-13(2,3)12-15-6-10(7-16-12)8-17-5-4-11(14)9-17;1-13(2,3)12-15-8-6-11(17-12)16-10-5-4-7-14-9-10;1-13(2,3)12-15-9-6-11(16-12)10-4-7-14-8-5-10;1-12(2,3)11-14-5-4-10(15-11)16-8-6-13-7-9-16;1-12(2,3)10-4-5-14-11(15-10)16-8-6-13-7-9-16;1-12(2,3)11-7-10(14-8-15-11)9-5-4-6-13-9;1-11(2,3)9-12-5-4-8(14-9)15-10-13-6-7-16-10;1-11(2,3)10-4-9(12-7-13-10)8-5-14-15-6-8/h6-7,11H,4-5,8-9,14H2,1-3H3;6,8,10,14H,4-5,7,9H2,1-3H3,(H,15,16,17);6,9-10,14H,4-5,7-8H2,1-3H3;2*4-5,13H,6-9H2,1-3H3;4-8,13H,1-3H3;4-7H,1-3H3,(H,12,13,14,15);4-7H,1-3H3,(H,14,15)
InChIKeyAYLCQZIRXVCJEY-UHFFFAOYSA-N
XLogP15.76
TPSA371.52 Ų
H-Bond Donors9
H-Bond Acceptors29
Rotatable Bonds11
Heavy Atoms128
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001766.53
LogP ≤ 515.76
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1029

Analyze 2-tert-butyl-4-piperazin-1-ylpyrimidine;4-tert-butyl-2-piperazin-1-ylpyrimidine;2-tert-butyl-N-piperidin-3-ylpyrimidin-4-amine;2-tert-butyl-4-piperidin-4-ylpyrimidine;4-tert-butyl-6-(1H-pyrazol-4-yl)pyrimidine;1-[(2-tert-butylpyrimidin-5-yl)methyl]pyrrolidin-3-amine;N-(2-tert-butylpyrimidin-4-yl)-1,3-thiazol-2-amine;4-tert-butyl-6-(1H-pyrrol-2-yl)pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-piperazin-1-ylpyrimidine;4-tert-butyl-2-piperazin-1-ylpyrimidine;2-tert-butyl-N-piperidin-3-ylpyrimidin-4-amine;2-tert-butyl-4-piperidin-4-ylpyrimidine;4-tert-butyl-6-(1H-pyrazol-4-yl)pyrimidine;1-[(2-tert-butylpyrimidin-5-yl)methyl]pyrrolidin-3-amine;N-(2-tert-butylpyrimidin-4-yl)-1,3-thiazol-2-amine;4-tert-butyl-6-(1H-pyrrol-2-yl)pyrimidine?
The IUPAC name of 2-tert-butyl-4-piperazin-1-ylpyrimidine;4-tert-butyl-2-piperazin-1-ylpyrimidine;2-tert-butyl-N-piperidin-3-ylpyrimidin-4-amine;2-tert-butyl-4-piperidin-4-ylpyrimidine;4-tert-butyl-6-(1H-pyrazol-4-yl)pyrimidine;1-[(2-tert-butylpyrimidin-5-yl)methyl]pyrrolidin-3-amine;N-(2-tert-butylpyrimidin-4-yl)-1,3-thiazol-2-amine;4-tert-butyl-6-(1H-pyrrol-2-yl)pyrimidine (CID 157270163) is 2-tert-butyl-4-piperazin-1-ylpyrimidine;4-tert-butyl-2-piperazin-1-ylpyrimidine;2-tert-butyl-N-piperidin-3-ylpyrimidin-4-amine;2-tert-butyl-4-piperidin-4-ylpyrimidine;4-tert-butyl-6-(1H-pyrazol-4-yl)pyrimidine;1-[(2-tert-butylpyrimidin-5-yl)methyl]pyrrolidin-3-amine;N-(2-tert-butylpyrimidin-4-yl)-1,3-thiazol-2-amine;4-tert-butyl-6-(1H-pyrrol-2-yl)pyrimidine.
What is the SMILES notation for 2-tert-butyl-4-piperazin-1-ylpyrimidine;4-tert-butyl-2-piperazin-1-ylpyrimidine;2-tert-butyl-N-piperidin-3-ylpyrimidin-4-amine;2-tert-butyl-4-piperidin-4-ylpyrimidine;4-tert-butyl-6-(1H-pyrazol-4-yl)pyrimidine;1-[(2-tert-butylpyrimidin-5-yl)methyl]pyrrolidin-3-amine;N-(2-tert-butylpyrimidin-4-yl)-1,3-thiazol-2-amine;4-tert-butyl-6-(1H-pyrrol-2-yl)pyrimidine?
The canonical SMILES for 2-tert-butyl-4-piperazin-1-ylpyrimidine;4-tert-butyl-2-piperazin-1-ylpyrimidine;2-tert-butyl-N-piperidin-3-ylpyrimidin-4-amine;2-tert-butyl-4-piperidin-4-ylpyrimidine;4-tert-butyl-6-(1H-pyrazol-4-yl)pyrimidine;1-[(2-tert-butylpyrimidin-5-yl)methyl]pyrrolidin-3-amine;N-(2-tert-butylpyrimidin-4-yl)-1,3-thiazol-2-amine;4-tert-butyl-6-(1H-pyrrol-2-yl)pyrimidine is CC(C)(C)c1cc(-c2ccc[nH]2)ncn1.CC(C)(C)c1cc(-c2cn[nH]c2)ncn1.CC(C)(C)c1ccnc(N2CCNCC2)n1.CC(C)(C)c1ncc(CN2CCC(N)C2)cn1.CC(C)(C)c1nccc(C2CCNCC2)n1.CC(C)(C)c1nccc(N2CCNCC2)n1.CC(C)(C)c1nccc(NC2CCCNC2)n1.CC(C)(C)c1nccc(Nc2nccs2)n1.
What is the InChIKey of 2-tert-butyl-4-piperazin-1-ylpyrimidine;4-tert-butyl-2-piperazin-1-ylpyrimidine;2-tert-butyl-N-piperidin-3-ylpyrimidin-4-amine;2-tert-butyl-4-piperidin-4-ylpyrimidine;4-tert-butyl-6-(1H-pyrazol-4-yl)pyrimidine;1-[(2-tert-butylpyrimidin-5-yl)methyl]pyrrolidin-3-amine;N-(2-tert-butylpyrimidin-4-yl)-1,3-thiazol-2-amine;4-tert-butyl-6-(1H-pyrrol-2-yl)pyrimidine?
The InChIKey is AYLCQZIRXVCJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H22N4.C13H21N3.2C12H20N4.C12H15N3.C11H14N4S.C11H14N4/c1-13(2,3)12-15-6-10(7-16-12)8-17-5-4-11(14)9-17;1-13(2,3)12-15-8-6-11(17-12)16-10-5-4-7-14-9-10;1-13(2,3)12-15-9-6-11(16-12)10-4-7-14-8-5-10;1-12(2,3)11-14-5-4-10(15-11)16-8-6-13-7-9-16;1-12(2,3)10-4-5-14-11(15-10)16-8-6-13-7-9-16;1-12(2,3)11-7-10(14-8-15-11)9-5-4-6-13-9;1-11(2,3)9-12-5-4-8(14-9)15-10-13-6-7-16-10;1-11(2,3)10-4-9(12-7-13-10)8-5-14-15-6-8/h6-7,11H,4-5,8-9,14H2,1-3H3;6,8,10,14H,4-5,7,9H2,1-3H3,(H,15,16,17);6,9-10,14H,4-5,7-8H2,1-3H3;2*4-5,13H,6-9H2,1-3H3;4-8,13H,1-3H3;4-7H,1-3H3,(H,12,13,14,15);4-7H,1-3H3,(H,14,15).
What are the key properties of 2-tert-butyl-4-piperazin-1-ylpyrimidine;4-tert-butyl-2-piperazin-1-ylpyrimidine;2-tert-butyl-N-piperidin-3-ylpyrimidin-4-amine;2-tert-butyl-4-piperidin-4-ylpyrimidine;4-tert-butyl-6-(1H-pyrazol-4-yl)pyrimidine;1-[(2-tert-butylpyrimidin-5-yl)methyl]pyrrolidin-3-amine;N-(2-tert-butylpyrimidin-4-yl)-1,3-thiazol-2-amine;4-tert-butyl-6-(1H-pyrrol-2-yl)pyrimidine?
2-tert-butyl-4-piperazin-1-ylpyrimidine;4-tert-butyl-2-piperazin-1-ylpyrimidine;2-tert-butyl-N-piperidin-3-ylpyrimidin-4-amine;2-tert-butyl-4-piperidin-4-ylpyrimidine;4-tert-butyl-6-(1H-pyrazol-4-yl)pyrimidine;1-[(2-tert-butylpyrimidin-5-yl)methyl]pyrrolidin-3-amine;N-(2-tert-butylpyrimidin-4-yl)-1,3-thiazol-2-amine;4-tert-butyl-6-(1H-pyrrol-2-yl)pyrimidine has a molecular weight of 1766.53 g/mol, XLogP of 15.76, 11 rotatable bonds, 9 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-piperazin-1-ylpyrimidine;4-tert-butyl-2-piperazin-1-ylpyrimidine;2-tert-butyl-N-piperidin-3-ylpyrimidin-4-amine;2-tert-butyl-4-piperidin-4-ylpyrimidine;4-tert-butyl-6-(1H-pyrazol-4-yl)pyrimidine;1-[(2-tert-butylpyrimidin-5-yl)methyl]pyrrolidin-3-amine;N-(2-tert-butylpyrimidin-4-yl)-1,3-thiazol-2-amine;4-tert-butyl-6-(1H-pyrrol-2-yl)pyrimidine is sourced from PubChem (CID 157270163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).