6-N-(3-methylbutyl)-4-N-(2-methylphenyl)pyrimidine-4,5,6-triamine

C16H23N5 — CID 19147842

IUPAC6-N-(3-methylbutyl)-4-N-(2-methylphenyl)pyrimidine-4,5,6-triamine
SMILESCc1ccccc1Nc1ncnc(NCCC(C)C)c1N
InChIInChI=1S/C16H23N5/c1-11(2)8-9-18-15-14(17)16(20-10-19-15)21-13-7-5-4-6-12(13)3/h4-7,10-11H,8-9,17H2,1-3H3,(H2,18,19,20,21)
InChIKeyWYVIGCHQEDKFOF-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.57
Rot. Bonds6

About 6-N-(3-methylbutyl)-4-N-(2-methylphenyl)pyrimidine-4,5,6-triamine

6-N-(3-methylbutyl)-4-N-(2-methylphenyl)pyrimidine-4,5,6-triamine (PubChem CID 19147842) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is 6-N-(3-methylbutyl)-4-N-(2-methylphenyl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name6-N-(3-methylbutyl)-4-N-(2-methylphenyl)pyrimidine-4,5,6-triamine
PubChem CID19147842
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC Name6-N-(3-methylbutyl)-4-N-(2-methylphenyl)pyrimidine-4,5,6-triamine
SMILESCc1ccccc1Nc1ncnc(NCCC(C)C)c1N
InChIInChI=1S/C16H23N5/c1-11(2)8-9-18-15-14(17)16(20-10-19-15)21-13-7-5-4-6-12(13)3/h4-7,10-11H,8-9,17H2,1-3H3,(H2,18,19,20,21)
InChIKeyWYVIGCHQEDKFOF-UHFFFAOYSA-N
XLogP3.57
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-(3-methylbutyl)-4-N-(6-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine
CID 22542416
4-N-(2,5-difluorophenyl)-6-N-(3-methylbutyl)pyrimidine-4,5,6-triamine
CID 19153133
4-N-(4-methyl-1,3-benzothiazol-2-yl)-6-N-(3-methylbutyl)pyrimidine-4,5,6-triamine
CID 19150023
6-N-(3-methylbutyl)-4-N-(1-phenylethyl)pyrimidine-4,5,6-triamine
CID 19145751
N'-[5-amino-6-(3-methylbutylamino)pyrimidin-4-yl]-2-methylbenzohydrazide
CID 19150908
6-N-[(2-chlorophenyl)methyl]-4-N-(2-methylphenyl)pyrimidine-4,5,6-triamine
CID 19147870
6-N-[(4-chlorophenyl)methyl]-4-N-(2-methylphenyl)pyrimidine-4,5,6-triamine
CID 19147805
6-N-(3-methylbutyl)-4-N-propan-2-ylpyrimidine-4,5,6-triamine
CID 19135694
4-N-(3,5-dimethylphenyl)-6-N-(2-methylphenyl)pyrimidine-4,5,6-triamine
CID 22540987
4-N,4-N-diethyl-6-N-(2-methylphenyl)pyrimidine-4,5,6-triamine
CID 19136767
4-N-(2-methylphenyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80754772
4-N-(2-methylphenyl)-6-(2-phenylhydrazinyl)pyrimidine-4,5-diamine
CID 19144322

Frequently Asked Questions

What is the IUPAC name of 6-N-(3-methylbutyl)-4-N-(2-methylphenyl)pyrimidine-4,5,6-triamine?
The IUPAC name of 6-N-(3-methylbutyl)-4-N-(2-methylphenyl)pyrimidine-4,5,6-triamine (CID 19147842) is 6-N-(3-methylbutyl)-4-N-(2-methylphenyl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 6-N-(3-methylbutyl)-4-N-(2-methylphenyl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 6-N-(3-methylbutyl)-4-N-(2-methylphenyl)pyrimidine-4,5,6-triamine is Cc1ccccc1Nc1ncnc(NCCC(C)C)c1N.
What is the InChIKey of 6-N-(3-methylbutyl)-4-N-(2-methylphenyl)pyrimidine-4,5,6-triamine?
The InChIKey is WYVIGCHQEDKFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-11(2)8-9-18-15-14(17)16(20-10-19-15)21-13-7-5-4-6-12(13)3/h4-7,10-11H,8-9,17H2,1-3H3,(H2,18,19,20,21).
What are the key properties of 6-N-(3-methylbutyl)-4-N-(2-methylphenyl)pyrimidine-4,5,6-triamine?
6-N-(3-methylbutyl)-4-N-(2-methylphenyl)pyrimidine-4,5,6-triamine has a molecular weight of 285.39 g/mol, XLogP of 3.57, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(3-methylbutyl)-4-N-(2-methylphenyl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 19147842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).