N-(4-butylphenyl)-4-chloro-6-methylpyrimidin-2-amine

C15H18ClN3 — CID 12578912

IUPACN-(4-butylphenyl)-4-chloro-6-methylpyrimidin-2-amine
SMILESCCCCc1ccc(Nc2nc(C)cc(Cl)n2)cc1
InChIInChI=1S/C15H18ClN3/c1-3-4-5-12-6-8-13(9-7-12)18-15-17-11(2)10-14(16)19-15/h6-10H,3-5H2,1-2H3,(H,17,18,19)
InChIKeyVYSBGVJBDURTEJ-UHFFFAOYSA-N
MW275.78 g/mol
LogP4.52
Rot. Bonds5

About N-(4-butylphenyl)-4-chloro-6-methylpyrimidin-2-amine

N-(4-butylphenyl)-4-chloro-6-methylpyrimidin-2-amine (PubChem CID 12578912) has the molecular formula C15H18ClN3 and a molecular weight of 275.78 g/mol. Its IUPAC name is N-(4-butylphenyl)-4-chloro-6-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(4-butylphenyl)-4-chloro-6-methylpyrimidin-2-amine
PubChem CID12578912
Molecular FormulaC15H18ClN3
Molecular Weight275.78 g/mol
Exact Mass275.12
IUPAC NameN-(4-butylphenyl)-4-chloro-6-methylpyrimidin-2-amine
SMILESCCCCc1ccc(Nc2nc(C)cc(Cl)n2)cc1
InChIInChI=1S/C15H18ClN3/c1-3-4-5-12-6-8-13(9-7-12)18-15-17-11(2)10-14(16)19-15/h6-10H,3-5H2,1-2H3,(H,17,18,19)
InChIKeyVYSBGVJBDURTEJ-UHFFFAOYSA-N
XLogP4.52
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-butylphenyl)-2,6-dimethylpyrimidin-4-amine
CID 16876804
N-(4-butylphenyl)-6-chloro-2-propylpyrimidin-4-amine
CID 80939572
4-chloro-N-(3-ethylphenyl)-6-methylpyrimidin-2-amine
CID 58910370
N-(4-butylphenyl)-4,6-dichloro-5-(2,2-dimethoxyethyl)pyrimidin-2-amine
CID 10339961
4-N-(4-chlorophenyl)-2-N-(4-ethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928718
2-N-(4-chlorophenyl)-4-N-(4-ethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928668
4-butyl-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzenesulfonamide
CID 19683735
4-chloro-N-(5-hexyl-1H-1,2,4-triazol-3-yl)-6-methylpyrimidin-2-amine
CID 12661885
4-butyl-N-[4-[4-[4-(4-butylanilino)phenyl]phenyl]phenyl]aniline
CID 69347655
N-butyl-2-(3,4-dichloroanilino)-6-methylpyrimidine-4-carboxamide
CID 109320778
N-[4-(2-aminoethyl)phenyl]-4-methyl-6-propoxypyrimidin-2-amine
CID 115973945
N-butyl-2-(4-ethylanilino)-N,6-dimethylpyrimidine-4-carboxamide
CID 109333659

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-4-chloro-6-methylpyrimidin-2-amine?
The IUPAC name of N-(4-butylphenyl)-4-chloro-6-methylpyrimidin-2-amine (CID 12578912) is N-(4-butylphenyl)-4-chloro-6-methylpyrimidin-2-amine.
What is the SMILES notation for N-(4-butylphenyl)-4-chloro-6-methylpyrimidin-2-amine?
The canonical SMILES for N-(4-butylphenyl)-4-chloro-6-methylpyrimidin-2-amine is CCCCc1ccc(Nc2nc(C)cc(Cl)n2)cc1.
What is the InChIKey of N-(4-butylphenyl)-4-chloro-6-methylpyrimidin-2-amine?
The InChIKey is VYSBGVJBDURTEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3/c1-3-4-5-12-6-8-13(9-7-12)18-15-17-11(2)10-14(16)19-15/h6-10H,3-5H2,1-2H3,(H,17,18,19).
What are the key properties of N-(4-butylphenyl)-4-chloro-6-methylpyrimidin-2-amine?
N-(4-butylphenyl)-4-chloro-6-methylpyrimidin-2-amine has a molecular weight of 275.78 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-4-chloro-6-methylpyrimidin-2-amine is sourced from PubChem (CID 12578912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).