2-N-benzyl-6-methyl-2-N,4-N-di(propan-2-yl)pyrimidine-2,4-diamine

C18H26N4 — CID 112907142

IUPAC2-N-benzyl-6-methyl-2-N,4-N-di(propan-2-yl)pyrimidine-2,4-diamine
SMILESCc1cc(NC(C)C)nc(N(Cc2ccccc2)C(C)C)n1
InChIInChI=1S/C18H26N4/c1-13(2)19-17-11-15(5)20-18(21-17)22(14(3)4)12-16-9-7-6-8-10-16/h6-11,13-14H,12H2,1-5H3,(H,19,20,21)
InChIKeyZTUJWBIPCZAGJF-UHFFFAOYSA-N
MW298.43 g/mol
LogP4.02
Rot. Bonds6

About 2-N-benzyl-6-methyl-2-N,4-N-di(propan-2-yl)pyrimidine-2,4-diamine

2-N-benzyl-6-methyl-2-N,4-N-di(propan-2-yl)pyrimidine-2,4-diamine (PubChem CID 112907142) has the molecular formula C18H26N4 and a molecular weight of 298.43 g/mol. Its IUPAC name is 2-N-benzyl-6-methyl-2-N,4-N-di(propan-2-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-benzyl-6-methyl-2-N,4-N-di(propan-2-yl)pyrimidine-2,4-diamine
PubChem CID112907142
Molecular FormulaC18H26N4
Molecular Weight298.43 g/mol
Exact Mass298.22
IUPAC Name2-N-benzyl-6-methyl-2-N,4-N-di(propan-2-yl)pyrimidine-2,4-diamine
SMILESCc1cc(NC(C)C)nc(N(Cc2ccccc2)C(C)C)n1
InChIInChI=1S/C18H26N4/c1-13(2)19-17-11-15(5)20-18(21-17)22(14(3)4)12-16-9-7-6-8-10-16/h6-11,13-14H,12H2,1-5H3,(H,19,20,21)
InChIKeyZTUJWBIPCZAGJF-UHFFFAOYSA-N
XLogP4.02
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-benzyl-4-N-cyclohexyl-6-methyl-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 112910397
2-N-benzyl-6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 112925140
2-N-benzyl-4-N-[2-(2-fluorophenyl)ethyl]-6-methyl-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 112920555
2-[benzyl(propan-2-yl)amino]-6-methyl-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109321059
2-[benzyl(propan-2-yl)amino]-6-methyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 109330248
2-[benzyl(propan-2-yl)amino]-N-cyclopentyl-6-methylpyrimidine-4-carboxamide
CID 109322163
2-N,2-N,6-trimethyl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 83698650
N-benzyl-4,6-dichloro-N-propan-2-yl-1,3,5-triazin-2-amine
CID 55124467
2-[benzyl(propan-2-yl)amino]-N-(4-chlorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109333030
2-[benzyl(propan-2-yl)amino]-N-(3-methoxypropyl)-6-methylpyrimidine-4-carboxamide
CID 109324083
N-benzyl-N,4,6-trimethylpyrimidin-2-amine
CID 734467
2-N-benzyl-4-N-[2-(dimethylamino)ethyl]-2-N,6-dimethylpyrimidine-2,4-diamine
CID 112912774

Frequently Asked Questions

What is the IUPAC name of 2-N-benzyl-6-methyl-2-N,4-N-di(propan-2-yl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-benzyl-6-methyl-2-N,4-N-di(propan-2-yl)pyrimidine-2,4-diamine (CID 112907142) is 2-N-benzyl-6-methyl-2-N,4-N-di(propan-2-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-benzyl-6-methyl-2-N,4-N-di(propan-2-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-benzyl-6-methyl-2-N,4-N-di(propan-2-yl)pyrimidine-2,4-diamine is Cc1cc(NC(C)C)nc(N(Cc2ccccc2)C(C)C)n1.
What is the InChIKey of 2-N-benzyl-6-methyl-2-N,4-N-di(propan-2-yl)pyrimidine-2,4-diamine?
The InChIKey is ZTUJWBIPCZAGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4/c1-13(2)19-17-11-15(5)20-18(21-17)22(14(3)4)12-16-9-7-6-8-10-16/h6-11,13-14H,12H2,1-5H3,(H,19,20,21).
What are the key properties of 2-N-benzyl-6-methyl-2-N,4-N-di(propan-2-yl)pyrimidine-2,4-diamine?
2-N-benzyl-6-methyl-2-N,4-N-di(propan-2-yl)pyrimidine-2,4-diamine has a molecular weight of 298.43 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-benzyl-6-methyl-2-N,4-N-di(propan-2-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112907142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).