4-N-benzyl-6-methyl-2-N-(3-methylbutyl)pyrimidine-2,4-diamine

C17H24N4 — CID 112915511

IUPAC4-N-benzyl-6-methyl-2-N-(3-methylbutyl)pyrimidine-2,4-diamine
SMILESCc1cc(NCc2ccccc2)nc(NCCC(C)C)n1
InChIInChI=1S/C17H24N4/c1-13(2)9-10-18-17-20-14(3)11-16(21-17)19-12-15-7-5-4-6-8-15/h4-8,11,13H,9-10,12H2,1-3H3,(H2,18,19,20,21)
InChIKeyXMKSXYQLTHURLG-UHFFFAOYSA-N
MW284.41 g/mol
LogP3.86
Rot. Bonds7

About 4-N-benzyl-6-methyl-2-N-(3-methylbutyl)pyrimidine-2,4-diamine

4-N-benzyl-6-methyl-2-N-(3-methylbutyl)pyrimidine-2,4-diamine (PubChem CID 112915511) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 4-N-benzyl-6-methyl-2-N-(3-methylbutyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-benzyl-6-methyl-2-N-(3-methylbutyl)pyrimidine-2,4-diamine
PubChem CID112915511
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name4-N-benzyl-6-methyl-2-N-(3-methylbutyl)pyrimidine-2,4-diamine
SMILESCc1cc(NCc2ccccc2)nc(NCCC(C)C)n1
InChIInChI=1S/C17H24N4/c1-13(2)9-10-18-17-20-14(3)11-16(21-17)19-12-15-7-5-4-6-8-15/h4-8,11,13H,9-10,12H2,1-3H3,(H2,18,19,20,21)
InChIKeyXMKSXYQLTHURLG-UHFFFAOYSA-N
XLogP3.86
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-2-N-(3-methylbutyl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112919132
4-N-benzyl-2-N-butan-2-yl-6-methylpyrimidine-2,4-diamine
CID 112909056
2-N-benzyl-6-methyl-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112915625
6-methyl-2-N-(3-methylbutyl)-4-N-(2-methylphenyl)pyrimidine-2,4-diamine
CID 112925266
4-N-benzyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 5276763
2-N-benzyl-6-methyl-4-N-pentylpyrimidine-2,4-diamine
CID 112915678
6-methyl-2-N-(1-phenylethyl)-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112916762
4-N-benzyl-6-methyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112915471
4-N-benzyl-2-N-[(2-chlorophenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112915465
4-N-(2,6-dimethylphenyl)-6-methyl-2-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112925276
4-N-tert-butyl-6-methyl-2-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112924628
2-N-[2-(4-fluorophenyl)ethyl]-6-methyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112920855

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-6-methyl-2-N-(3-methylbutyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-benzyl-6-methyl-2-N-(3-methylbutyl)pyrimidine-2,4-diamine (CID 112915511) is 4-N-benzyl-6-methyl-2-N-(3-methylbutyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-benzyl-6-methyl-2-N-(3-methylbutyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-benzyl-6-methyl-2-N-(3-methylbutyl)pyrimidine-2,4-diamine is Cc1cc(NCc2ccccc2)nc(NCCC(C)C)n1.
What is the InChIKey of 4-N-benzyl-6-methyl-2-N-(3-methylbutyl)pyrimidine-2,4-diamine?
The InChIKey is XMKSXYQLTHURLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-13(2)9-10-18-17-20-14(3)11-16(21-17)19-12-15-7-5-4-6-8-15/h4-8,11,13H,9-10,12H2,1-3H3,(H2,18,19,20,21).
What are the key properties of 4-N-benzyl-6-methyl-2-N-(3-methylbutyl)pyrimidine-2,4-diamine?
4-N-benzyl-6-methyl-2-N-(3-methylbutyl)pyrimidine-2,4-diamine has a molecular weight of 284.41 g/mol, XLogP of 3.86, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-6-methyl-2-N-(3-methylbutyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112915511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).