6-chloro-N-(3-methylcyclopentyl)-2-phenylpyrimidin-4-amine

C16H18ClN3 — CID 114549259

IUPAC6-chloro-N-(3-methylcyclopentyl)-2-phenylpyrimidin-4-amine
SMILESCC1CCC(Nc2cc(Cl)nc(-c3ccccc3)n2)C1
InChIInChI=1S/C16H18ClN3/c1-11-7-8-13(9-11)18-15-10-14(17)19-16(20-15)12-5-3-2-4-6-12/h2-6,10-11,13H,7-9H2,1H3,(H,18,19,20)
InChIKeyBMCFVNKGFAEVQO-UHFFFAOYSA-N
MW287.79 g/mol
LogP4.40
Rot. Bonds3

About 6-chloro-N-(3-methylcyclopentyl)-2-phenylpyrimidin-4-amine

6-chloro-N-(3-methylcyclopentyl)-2-phenylpyrimidin-4-amine (PubChem CID 114549259) has the molecular formula C16H18ClN3 and a molecular weight of 287.79 g/mol. Its IUPAC name is 6-chloro-N-(3-methylcyclopentyl)-2-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(3-methylcyclopentyl)-2-phenylpyrimidin-4-amine
PubChem CID114549259
Molecular FormulaC16H18ClN3
Molecular Weight287.79 g/mol
Exact Mass287.12
IUPAC Name6-chloro-N-(3-methylcyclopentyl)-2-phenylpyrimidin-4-amine
SMILESCC1CCC(Nc2cc(Cl)nc(-c3ccccc3)n2)C1
InChIInChI=1S/C16H18ClN3/c1-11-7-8-13(9-11)18-15-10-14(17)19-16(20-15)12-5-3-2-4-6-12/h2-6,10-11,13H,7-9H2,1H3,(H,18,19,20)
InChIKeyBMCFVNKGFAEVQO-UHFFFAOYSA-N
XLogP4.40
TPSA37.81 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 ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-cyclopropyl-2-phenylpyrimidin-4-amine
CID 112559616
6-chloro-N-cyclopent-3-en-1-yl-2-phenylpyrimidin-4-amine
CID 106196089
2-chloro-6-[(3-methylcyclopentyl)amino]pyridine-4-carboxylic acid
CID 114546957
4-N-cyclopropyl-2-phenyl-6-N-propylpyrimidine-4,6-diamine
CID 112879169
2-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-N-cyclopropylacetamide
CID 115914667
6-chloro-2-cyclopropyl-N-(3,5-dimethylcyclohexyl)pyrimidin-4-amine
CID 80951663
4-N-cyclobutyl-6-N-methyl-2-phenylpyrimidine-4,6-diamine
CID 112559826
2-N-methyl-6-N-(3-methylcyclopentyl)pyridine-2,6-diamine
CID 114542004
1-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-2-methylpropan-2-ol
CID 112559667
6-N-[2-(4-chlorophenyl)ethyl]-4-N-cyclopropyl-2-phenylpyrimidine-4,6-diamine
CID 112879476
4-N-cyclopropyl-6-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylpyrimidine-4,6-diamine
CID 112879570
4-N-cyclopropyl-6-N-(4-methoxyphenyl)-2-phenylpyrimidine-4,6-diamine
CID 112879528

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3-methylcyclopentyl)-2-phenylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(3-methylcyclopentyl)-2-phenylpyrimidin-4-amine (CID 114549259) is 6-chloro-N-(3-methylcyclopentyl)-2-phenylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(3-methylcyclopentyl)-2-phenylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(3-methylcyclopentyl)-2-phenylpyrimidin-4-amine is CC1CCC(Nc2cc(Cl)nc(-c3ccccc3)n2)C1.
What is the InChIKey of 6-chloro-N-(3-methylcyclopentyl)-2-phenylpyrimidin-4-amine?
The InChIKey is BMCFVNKGFAEVQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3/c1-11-7-8-13(9-11)18-15-10-14(17)19-16(20-15)12-5-3-2-4-6-12/h2-6,10-11,13H,7-9H2,1H3,(H,18,19,20).
What are the key properties of 6-chloro-N-(3-methylcyclopentyl)-2-phenylpyrimidin-4-amine?
6-chloro-N-(3-methylcyclopentyl)-2-phenylpyrimidin-4-amine has a molecular weight of 287.79 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3-methylcyclopentyl)-2-phenylpyrimidin-4-amine is sourced from PubChem (CID 114549259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).