6-N-(2-bromo-4-methylphenyl)-4-N-butyl-4-N-methylpyrimidine-4,6-diamine

C16H21BrN4 — CID 112864264

IUPAC6-N-(2-bromo-4-methylphenyl)-4-N-butyl-4-N-methylpyrimidine-4,6-diamine
SMILESCCCCN(C)c1cc(Nc2ccc(C)cc2Br)ncn1
InChIInChI=1S/C16H21BrN4/c1-4-5-8-21(3)16-10-15(18-11-19-16)20-14-7-6-12(2)9-13(14)17/h6-7,9-11H,4-5,8H2,1-3H3,(H,18,19,20)
InChIKeyCYFMLJBTNFMIHM-UHFFFAOYSA-N
MW349.28 g/mol
LogP4.53
Rot. Bonds6

About 6-N-(2-bromo-4-methylphenyl)-4-N-butyl-4-N-methylpyrimidine-4,6-diamine

6-N-(2-bromo-4-methylphenyl)-4-N-butyl-4-N-methylpyrimidine-4,6-diamine (PubChem CID 112864264) has the molecular formula C16H21BrN4 and a molecular weight of 349.28 g/mol. Its IUPAC name is 6-N-(2-bromo-4-methylphenyl)-4-N-butyl-4-N-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-(2-bromo-4-methylphenyl)-4-N-butyl-4-N-methylpyrimidine-4,6-diamine
PubChem CID112864264
Molecular FormulaC16H21BrN4
Molecular Weight349.28 g/mol
Exact Mass348.09
IUPAC Name6-N-(2-bromo-4-methylphenyl)-4-N-butyl-4-N-methylpyrimidine-4,6-diamine
SMILESCCCCN(C)c1cc(Nc2ccc(C)cc2Br)ncn1
InChIInChI=1S/C16H21BrN4/c1-4-5-8-21(3)16-10-15(18-11-19-16)20-14-7-6-12(2)9-13(14)17/h6-7,9-11H,4-5,8H2,1-3H3,(H,18,19,20)
InChIKeyCYFMLJBTNFMIHM-UHFFFAOYSA-N
XLogP4.53
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.28
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-butyl-6-N-(2-fluorophenyl)-4-N-methylpyrimidine-4,6-diamine
CID 112864218
4-N-(2-bromo-4-methylphenyl)-6-N-ethylpyrimidine-4,6-diamine
CID 80768500
4-N-butyl-6-N-(4-tert-butylphenyl)-4-N-methylpyrimidine-4,6-diamine
CID 112864217
4-N-butyl-6-N-(2,6-dichlorophenyl)-4-N-methylpyrimidine-4,6-diamine
CID 112864278
6-[butyl(methyl)amino]-N-(2,4-dimethylphenyl)pyrimidine-4-carboxamide
CID 109354637
6-N-(2-bromo-4-methylphenyl)-4-N-tert-butylpyrimidine-4,6-diamine
CID 112863835
[6-[methyl(pentyl)amino]pyrimidin-4-yl]cyanamide
CID 115264736
methyl 3-[[6-[butyl(methyl)amino]pyrimidin-4-yl]amino]-4-chlorobenzoate
CID 112864253
6-N-(1,3-benzodioxol-5-yl)-4-N-butyl-4-N-methylpyrimidine-4,6-diamine
CID 112864267
6-N-(2-methoxy-5-methylphenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine
CID 112861862
4-N-(2-bromo-4-methylphenyl)-6-N-(2-phenylethyl)pyrimidine-4,6-diamine
CID 112861137
N-butyl-6-(2,5-dimethylanilino)-N-methylpyrimidine-4-carboxamide
CID 109354750

Frequently Asked Questions

What is the IUPAC name of 6-N-(2-bromo-4-methylphenyl)-4-N-butyl-4-N-methylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-(2-bromo-4-methylphenyl)-4-N-butyl-4-N-methylpyrimidine-4,6-diamine (CID 112864264) is 6-N-(2-bromo-4-methylphenyl)-4-N-butyl-4-N-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-(2-bromo-4-methylphenyl)-4-N-butyl-4-N-methylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-(2-bromo-4-methylphenyl)-4-N-butyl-4-N-methylpyrimidine-4,6-diamine is CCCCN(C)c1cc(Nc2ccc(C)cc2Br)ncn1.
What is the InChIKey of 6-N-(2-bromo-4-methylphenyl)-4-N-butyl-4-N-methylpyrimidine-4,6-diamine?
The InChIKey is CYFMLJBTNFMIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN4/c1-4-5-8-21(3)16-10-15(18-11-19-16)20-14-7-6-12(2)9-13(14)17/h6-7,9-11H,4-5,8H2,1-3H3,(H,18,19,20).
What are the key properties of 6-N-(2-bromo-4-methylphenyl)-4-N-butyl-4-N-methylpyrimidine-4,6-diamine?
6-N-(2-bromo-4-methylphenyl)-4-N-butyl-4-N-methylpyrimidine-4,6-diamine has a molecular weight of 349.28 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2-bromo-4-methylphenyl)-4-N-butyl-4-N-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 112864264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).