4-N-benzyl-2-N-butan-2-yl-6-methylpyrimidine-2,4-diamine

C16H22N4 — CID 112909056

IUPAC4-N-benzyl-2-N-butan-2-yl-6-methylpyrimidine-2,4-diamine
SMILESCCC(C)Nc1nc(C)cc(NCc2ccccc2)n1
InChIInChI=1S/C16H22N4/c1-4-12(2)18-16-19-13(3)10-15(20-16)17-11-14-8-6-5-7-9-14/h5-10,12H,4,11H2,1-3H3,(H2,17,18,19,20)
InChIKeyUUIBDWAHKMTIKL-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.61
Rot. Bonds6

About 4-N-benzyl-2-N-butan-2-yl-6-methylpyrimidine-2,4-diamine

4-N-benzyl-2-N-butan-2-yl-6-methylpyrimidine-2,4-diamine (PubChem CID 112909056) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 4-N-benzyl-2-N-butan-2-yl-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-benzyl-2-N-butan-2-yl-6-methylpyrimidine-2,4-diamine
PubChem CID112909056
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name4-N-benzyl-2-N-butan-2-yl-6-methylpyrimidine-2,4-diamine
SMILESCCC(C)Nc1nc(C)cc(NCc2ccccc2)n1
InChIInChI=1S/C16H22N4/c1-4-12(2)18-16-19-13(3)10-15(20-16)17-11-14-8-6-5-7-9-14/h5-10,12H,4,11H2,1-3H3,(H2,17,18,19,20)
InChIKeyUUIBDWAHKMTIKL-UHFFFAOYSA-N
XLogP3.61
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-butan-2-yl-6-methyl-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112909057
2-N-butan-2-yl-6-methyl-4-N-(1-phenylethyl)pyrimidine-2,4-diamine
CID 112909060
2-N-butan-2-yl-4-N-[(3,4-dimethoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112909090
4-N-benzyl-2-N-butan-2-ylpyrimidine-2,4-diamine
CID 112883682
6-methyl-2-N-(1-phenylethyl)-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112916762
4-N-benzyl-6-methyl-2-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112915511
4-N-benzyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 5276763
2-N-butan-2-yl-4-N-[(4-methoxyphenyl)methyl]-6-phenylpyrimidine-2,4-diamine
CID 112934005
2-N-benzyl-6-methyl-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112915625
2-N-benzyl-6-methyl-4-N-pentylpyrimidine-2,4-diamine
CID 112915678
2-N-butan-2-yl-4-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112909147
4,6-dimethyl-N-(1-phenylpropan-2-yl)pyrimidin-2-amine
CID 63011106

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-2-N-butan-2-yl-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-benzyl-2-N-butan-2-yl-6-methylpyrimidine-2,4-diamine (CID 112909056) is 4-N-benzyl-2-N-butan-2-yl-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-benzyl-2-N-butan-2-yl-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-benzyl-2-N-butan-2-yl-6-methylpyrimidine-2,4-diamine is CCC(C)Nc1nc(C)cc(NCc2ccccc2)n1.
What is the InChIKey of 4-N-benzyl-2-N-butan-2-yl-6-methylpyrimidine-2,4-diamine?
The InChIKey is UUIBDWAHKMTIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-4-12(2)18-16-19-13(3)10-15(20-16)17-11-14-8-6-5-7-9-14/h5-10,12H,4,11H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 4-N-benzyl-2-N-butan-2-yl-6-methylpyrimidine-2,4-diamine?
4-N-benzyl-2-N-butan-2-yl-6-methylpyrimidine-2,4-diamine has a molecular weight of 270.38 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-2-N-butan-2-yl-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 112909056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).