4-N-butyl-6-N-(5-chloro-2-methylphenyl)-4-N,2-dimethylpyrimidine-4,6-diamine

C17H23ClN4 — CID 112876377

IUPAC4-N-butyl-6-N-(5-chloro-2-methylphenyl)-4-N,2-dimethylpyrimidine-4,6-diamine
SMILESCCCCN(C)c1cc(Nc2cc(Cl)ccc2C)nc(C)n1
InChIInChI=1S/C17H23ClN4/c1-5-6-9-22(4)17-11-16(19-13(3)20-17)21-15-10-14(18)8-7-12(15)2/h7-8,10-11H,5-6,9H2,1-4H3,(H,19,20,21)
InChIKeyAZHMXAZNFRHHTQ-UHFFFAOYSA-N
MW318.85 g/mol
LogP4.73
Rot. Bonds6

About 4-N-butyl-6-N-(5-chloro-2-methylphenyl)-4-N,2-dimethylpyrimidine-4,6-diamine

4-N-butyl-6-N-(5-chloro-2-methylphenyl)-4-N,2-dimethylpyrimidine-4,6-diamine (PubChem CID 112876377) has the molecular formula C17H23ClN4 and a molecular weight of 318.85 g/mol. Its IUPAC name is 4-N-butyl-6-N-(5-chloro-2-methylphenyl)-4-N,2-dimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-butyl-6-N-(5-chloro-2-methylphenyl)-4-N,2-dimethylpyrimidine-4,6-diamine
PubChem CID112876377
Molecular FormulaC17H23ClN4
Molecular Weight318.85 g/mol
Exact Mass318.16
IUPAC Name4-N-butyl-6-N-(5-chloro-2-methylphenyl)-4-N,2-dimethylpyrimidine-4,6-diamine
SMILESCCCCN(C)c1cc(Nc2cc(Cl)ccc2C)nc(C)n1
InChIInChI=1S/C17H23ClN4/c1-5-6-9-22(4)17-11-16(19-13(3)20-17)21-15-10-14(18)8-7-12(15)2/h7-8,10-11H,5-6,9H2,1-4H3,(H,19,20,21)
InChIKeyAZHMXAZNFRHHTQ-UHFFFAOYSA-N
XLogP4.73
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.85
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-butyl-6-N-(2,6-difluorophenyl)-4-N,2-dimethylpyrimidine-4,6-diamine
CID 112876442
N-butyl-6-chloro-N,2-dimethylpyrimidin-4-amine
CID 62483143
4-N-butyl-6-N-[3-(dimethylamino)propyl]-4-N,2-dimethylpyrimidine-4,6-diamine
CID 112870573
4-N-butyl-4-N,2-dimethyl-6-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4,6-diamine
CID 112876409
N-butyl-6-(2,5-dichloroanilino)-N,2-dimethylpyrimidine-4-carboxamide
CID 112847113
6-[butyl(methyl)amino]-2-methyl-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 112846922
6-N-(4-chlorophenyl)-2-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine
CID 112876660
4-N-butyl-4-N,2-dimethylpyrimidine-4,6-diamine
CID 80753579
4-N-(5-chloro-2-methylphenyl)-2-methyl-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 112873602
5-N-(5-chloro-2-methylphenyl)-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine
CID 112960958
N-butyl-2-(5-chloro-2-methylanilino)-N-methylpyrimidine-5-carboxamide
CID 109263901
6-(5-chloro-2-methylanilino)-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide
CID 112848578

Frequently Asked Questions

What is the IUPAC name of 4-N-butyl-6-N-(5-chloro-2-methylphenyl)-4-N,2-dimethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-butyl-6-N-(5-chloro-2-methylphenyl)-4-N,2-dimethylpyrimidine-4,6-diamine (CID 112876377) is 4-N-butyl-6-N-(5-chloro-2-methylphenyl)-4-N,2-dimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-butyl-6-N-(5-chloro-2-methylphenyl)-4-N,2-dimethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-butyl-6-N-(5-chloro-2-methylphenyl)-4-N,2-dimethylpyrimidine-4,6-diamine is CCCCN(C)c1cc(Nc2cc(Cl)ccc2C)nc(C)n1.
What is the InChIKey of 4-N-butyl-6-N-(5-chloro-2-methylphenyl)-4-N,2-dimethylpyrimidine-4,6-diamine?
The InChIKey is AZHMXAZNFRHHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN4/c1-5-6-9-22(4)17-11-16(19-13(3)20-17)21-15-10-14(18)8-7-12(15)2/h7-8,10-11H,5-6,9H2,1-4H3,(H,19,20,21).
What are the key properties of 4-N-butyl-6-N-(5-chloro-2-methylphenyl)-4-N,2-dimethylpyrimidine-4,6-diamine?
4-N-butyl-6-N-(5-chloro-2-methylphenyl)-4-N,2-dimethylpyrimidine-4,6-diamine has a molecular weight of 318.85 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butyl-6-N-(5-chloro-2-methylphenyl)-4-N,2-dimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 112876377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).