N-cyclopentyl-6-methoxy-2-phenylpyrimidin-4-amine

C16H19N3O — CID 71031794

IUPACN-cyclopentyl-6-methoxy-2-phenylpyrimidin-4-amine
SMILESCOc1cc(NC2CCCC2)nc(-c2ccccc2)n1
InChIInChI=1S/C16H19N3O/c1-20-15-11-14(17-13-9-5-6-10-13)18-16(19-15)12-7-3-2-4-8-12/h2-4,7-8,11,13H,5-6,9-10H2,1H3,(H,17,18,19)
InChIKeyLXEOPPLCVXRGRC-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.51
Rot. Bonds4

About N-cyclopentyl-6-methoxy-2-phenylpyrimidin-4-amine

N-cyclopentyl-6-methoxy-2-phenylpyrimidin-4-amine (PubChem CID 71031794) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is N-cyclopentyl-6-methoxy-2-phenylpyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclopentyl-6-methoxy-2-phenylpyrimidin-4-amine
PubChem CID71031794
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC NameN-cyclopentyl-6-methoxy-2-phenylpyrimidin-4-amine
SMILESCOc1cc(NC2CCCC2)nc(-c2ccccc2)n1
InChIInChI=1S/C16H19N3O/c1-20-15-11-14(17-13-9-5-6-10-13)18-16(19-15)12-7-3-2-4-8-12/h2-4,7-8,11,13H,5-6,9-10H2,1H3,(H,17,18,19)
InChIKeyLXEOPPLCVXRGRC-UHFFFAOYSA-N
XLogP3.51
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-cyclobutyl-6-N-methyl-2-phenylpyrimidine-4,6-diamine
CID 112559826
4-N-cyclopentyl-6-N-[(4-methoxyphenyl)methyl]-2-phenylpyrimidine-4,6-diamine
CID 112880055
4-N-cyclopentyl-6-N-(2,5-dimethoxyphenyl)-2-phenylpyrimidine-4,6-diamine
CID 112880075
4-N-cyclopropyl-6-N-(4-methoxyphenyl)-2-phenylpyrimidine-4,6-diamine
CID 112879528
N-cyclohexyl-6-methoxy-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine
CID 139319883
N-cyclohexyl-2-phenyl-6-pyridin-4-ylpyrimidin-4-amine
CID 5005272
4-N-cyclopentyl-6-N-(3-methylbutyl)-2-phenylpyrimidine-4,6-diamine
CID 112880067
6-(cyclopentylmethoxy)-N-methyl-2-phenylpyrimidin-4-amine
CID 115915948
(6-cyclohexyloxy-2-phenylpyrimidin-4-yl)hydrazine
CID 115916294
N-cyclopentyl-6-(cyclopentylamino)-2-phenylpyrimidine-4-carboxamide
CID 112852793
N-cyclohexyl-2-phenyl-6-pyridin-3-ylpyrimidin-4-amine
CID 4157388
6-chloro-N-cyclopropyl-2-phenylpyrimidin-4-amine
CID 112559616

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-6-methoxy-2-phenylpyrimidin-4-amine?
The IUPAC name of N-cyclopentyl-6-methoxy-2-phenylpyrimidin-4-amine (CID 71031794) is N-cyclopentyl-6-methoxy-2-phenylpyrimidin-4-amine.
What is the SMILES notation for N-cyclopentyl-6-methoxy-2-phenylpyrimidin-4-amine?
The canonical SMILES for N-cyclopentyl-6-methoxy-2-phenylpyrimidin-4-amine is COc1cc(NC2CCCC2)nc(-c2ccccc2)n1.
What is the InChIKey of N-cyclopentyl-6-methoxy-2-phenylpyrimidin-4-amine?
The InChIKey is LXEOPPLCVXRGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-20-15-11-14(17-13-9-5-6-10-13)18-16(19-15)12-7-3-2-4-8-12/h2-4,7-8,11,13H,5-6,9-10H2,1H3,(H,17,18,19).
What are the key properties of N-cyclopentyl-6-methoxy-2-phenylpyrimidin-4-amine?
N-cyclopentyl-6-methoxy-2-phenylpyrimidin-4-amine has a molecular weight of 269.35 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-6-methoxy-2-phenylpyrimidin-4-amine is sourced from PubChem (CID 71031794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).