4-(5-chloro-2-methylphenyl)-6-(cyclobutylmethyl)pyrimidin-2-amine

C16H18ClN3 — CID 158483873

IUPAC4-(5-chloro-2-methylphenyl)-6-(cyclobutylmethyl)pyrimidin-2-amine
SMILESCc1ccc(Cl)cc1-c1cc(CC2CCC2)nc(N)n1
InChIInChI=1S/C16H18ClN3/c1-10-5-6-12(17)8-14(10)15-9-13(19-16(18)20-15)7-11-3-2-4-11/h5-6,8-9,11H,2-4,7H2,1H3,(H2,18,19,20)
InChIKeyQXINKDYMGKFJOY-UHFFFAOYSA-N
MW287.79 g/mol
LogP4.03
Rot. Bonds3

About 4-(5-chloro-2-methylphenyl)-6-(cyclobutylmethyl)pyrimidin-2-amine

4-(5-chloro-2-methylphenyl)-6-(cyclobutylmethyl)pyrimidin-2-amine (PubChem CID 158483873) has the molecular formula C16H18ClN3 and a molecular weight of 287.79 g/mol. Its IUPAC name is 4-(5-chloro-2-methylphenyl)-6-(cyclobutylmethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(5-chloro-2-methylphenyl)-6-(cyclobutylmethyl)pyrimidin-2-amine
PubChem CID158483873
Molecular FormulaC16H18ClN3
Molecular Weight287.79 g/mol
Exact Mass287.12
IUPAC Name4-(5-chloro-2-methylphenyl)-6-(cyclobutylmethyl)pyrimidin-2-amine
SMILESCc1ccc(Cl)cc1-c1cc(CC2CCC2)nc(N)n1
InChIInChI=1S/C16H18ClN3/c1-10-5-6-12(17)8-14(10)15-9-13(19-16(18)20-15)7-11-3-2-4-11/h5-6,8-9,11H,2-4,7H2,1H3,(H2,18,19,20)
InChIKeyQXINKDYMGKFJOY-UHFFFAOYSA-N
XLogP4.03
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-chloro-2-methylphenyl)-6-(cyclopropylmethyl)pyrimidin-2-amine
CID 158483870
4-(4-chlorophenyl)-6-(cyclobutylmethyl)pyrimidin-2-amine
CID 158538764
4-(cyclohexylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine
CID 157119078
6-[2-(aminomethyl)-5-chlorophenyl]-4-N-cyclobutylpyrimidine-2,4-diamine
CID 174775794
4-ethyl-6-[2-methyl-5-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 157068956
2-(2-amino-6-ethylpyrimidin-4-yl)-4-chlorobenzonitrile
CID 159434741
1-[3-[[2-amino-6-(5-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one
CID 90189569
4-(3-chloro-2-methylphenyl)-6-[(2-methylcyclopropyl)methyl]pyrimidin-2-amine
CID 158930614
4-chloro-6-[2-methyl-5-(4-methylphenyl)phenyl]pyrimidin-2-amine
CID 59104281
1-[5-(5-chloro-2-methylphenyl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine
CID 102793370
2-[3-[[2-amino-6-(5-chloro-2-methylphenyl)pyrimidin-4-yl]amino]phenyl]propane-1,3-diol
CID 42606407
5-chloro-2-(cyclohexylmethyl)aniline
CID 105481516

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-methylphenyl)-6-(cyclobutylmethyl)pyrimidin-2-amine?
The IUPAC name of 4-(5-chloro-2-methylphenyl)-6-(cyclobutylmethyl)pyrimidin-2-amine (CID 158483873) is 4-(5-chloro-2-methylphenyl)-6-(cyclobutylmethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(5-chloro-2-methylphenyl)-6-(cyclobutylmethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(5-chloro-2-methylphenyl)-6-(cyclobutylmethyl)pyrimidin-2-amine is Cc1ccc(Cl)cc1-c1cc(CC2CCC2)nc(N)n1.
What is the InChIKey of 4-(5-chloro-2-methylphenyl)-6-(cyclobutylmethyl)pyrimidin-2-amine?
The InChIKey is QXINKDYMGKFJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3/c1-10-5-6-12(17)8-14(10)15-9-13(19-16(18)20-15)7-11-3-2-4-11/h5-6,8-9,11H,2-4,7H2,1H3,(H2,18,19,20).
What are the key properties of 4-(5-chloro-2-methylphenyl)-6-(cyclobutylmethyl)pyrimidin-2-amine?
4-(5-chloro-2-methylphenyl)-6-(cyclobutylmethyl)pyrimidin-2-amine has a molecular weight of 287.79 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-methylphenyl)-6-(cyclobutylmethyl)pyrimidin-2-amine is sourced from PubChem (CID 158483873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).