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

C15H16ClN3 — CID 158483870

IUPAC4-(5-chloro-2-methylphenyl)-6-(cyclopropylmethyl)pyrimidin-2-amine
SMILESCc1ccc(Cl)cc1-c1cc(CC2CC2)nc(N)n1
InChIInChI=1S/C15H16ClN3/c1-9-2-5-11(16)7-13(9)14-8-12(6-10-3-4-10)18-15(17)19-14/h2,5,7-8,10H,3-4,6H2,1H3,(H2,17,18,19)
InChIKeyPKRMNXFBMOKOPU-UHFFFAOYSA-N
MW273.77 g/mol
LogP3.64
Rot. Bonds3

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

4-(5-chloro-2-methylphenyl)-6-(cyclopropylmethyl)pyrimidin-2-amine (PubChem CID 158483870) has the molecular formula C15H16ClN3 and a molecular weight of 273.77 g/mol. Its IUPAC name is 4-(5-chloro-2-methylphenyl)-6-(cyclopropylmethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(5-chloro-2-methylphenyl)-6-(cyclopropylmethyl)pyrimidin-2-amine
PubChem CID158483870
Molecular FormulaC15H16ClN3
Molecular Weight273.77 g/mol
Exact Mass273.10
IUPAC Name4-(5-chloro-2-methylphenyl)-6-(cyclopropylmethyl)pyrimidin-2-amine
SMILESCc1ccc(Cl)cc1-c1cc(CC2CC2)nc(N)n1
InChIInChI=1S/C15H16ClN3/c1-9-2-5-11(16)7-13(9)14-8-12(6-10-3-4-10)18-15(17)19-14/h2,5,7-8,10H,3-4,6H2,1H3,(H2,17,18,19)
InChIKeyPKRMNXFBMOKOPU-UHFFFAOYSA-N
XLogP3.64
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.77
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-chloro-2-methylphenyl)-6-(cyclobutylmethyl)pyrimidin-2-amine
CID 158483873
4-(4-chlorophenyl)-6-(cyclobutylmethyl)pyrimidin-2-amine
CID 158538764
4-(cyclohexylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine
CID 157119078
4-ethyl-6-[2-methyl-5-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 157068956
2-(2-amino-6-ethylpyrimidin-4-yl)-4-chlorobenzonitrile
CID 159434741
6-[2-(aminomethyl)-5-chlorophenyl]-4-N-cyclobutylpyrimidine-2,4-diamine
CID 174775794
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-[3-[[2-amino-6-(5-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one
CID 90189569
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
4-(2-chloro-3-fluorophenyl)-6-ethylpyrimidin-2-amine
CID 158331637

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-methylphenyl)-6-(cyclopropylmethyl)pyrimidin-2-amine?
The IUPAC name of 4-(5-chloro-2-methylphenyl)-6-(cyclopropylmethyl)pyrimidin-2-amine (CID 158483870) is 4-(5-chloro-2-methylphenyl)-6-(cyclopropylmethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(5-chloro-2-methylphenyl)-6-(cyclopropylmethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(5-chloro-2-methylphenyl)-6-(cyclopropylmethyl)pyrimidin-2-amine is Cc1ccc(Cl)cc1-c1cc(CC2CC2)nc(N)n1.
What is the InChIKey of 4-(5-chloro-2-methylphenyl)-6-(cyclopropylmethyl)pyrimidin-2-amine?
The InChIKey is PKRMNXFBMOKOPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3/c1-9-2-5-11(16)7-13(9)14-8-12(6-10-3-4-10)18-15(17)19-14/h2,5,7-8,10H,3-4,6H2,1H3,(H2,17,18,19).
What are the key properties of 4-(5-chloro-2-methylphenyl)-6-(cyclopropylmethyl)pyrimidin-2-amine?
4-(5-chloro-2-methylphenyl)-6-(cyclopropylmethyl)pyrimidin-2-amine has a molecular weight of 273.77 g/mol, XLogP of 3.64, 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-(cyclopropylmethyl)pyrimidin-2-amine is sourced from PubChem (CID 158483870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).