4-N-cyclopentyl-6-N-(2-methoxyphenyl)pyrimidine-4,5,6-triamine

C16H21N5O — CID 19148201

IUPAC4-N-cyclopentyl-6-N-(2-methoxyphenyl)pyrimidine-4,5,6-triamine
SMILESCOc1ccccc1Nc1ncnc(NC2CCCC2)c1N
InChIInChI=1S/C16H21N5O/c1-22-13-9-5-4-8-12(13)21-16-14(17)15(18-10-19-16)20-11-6-2-3-7-11/h4-5,8-11H,2-3,6-7,17H2,1H3,(H2,18,19,20,21)
InChIKeyTUXYHPBXZDLNSB-UHFFFAOYSA-N
MW299.38 g/mol
LogP3.17
Rot. Bonds5

About 4-N-cyclopentyl-6-N-(2-methoxyphenyl)pyrimidine-4,5,6-triamine

4-N-cyclopentyl-6-N-(2-methoxyphenyl)pyrimidine-4,5,6-triamine (PubChem CID 19148201) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is 4-N-cyclopentyl-6-N-(2-methoxyphenyl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N-cyclopentyl-6-N-(2-methoxyphenyl)pyrimidine-4,5,6-triamine
PubChem CID19148201
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name4-N-cyclopentyl-6-N-(2-methoxyphenyl)pyrimidine-4,5,6-triamine
SMILESCOc1ccccc1Nc1ncnc(NC2CCCC2)c1N
InChIInChI=1S/C16H21N5O/c1-22-13-9-5-4-8-12(13)21-16-14(17)15(18-10-19-16)20-11-6-2-3-7-11/h4-5,8-11H,2-3,6-7,17H2,1H3,(H2,18,19,20,21)
InChIKeyTUXYHPBXZDLNSB-UHFFFAOYSA-N
XLogP3.17
TPSA85.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-N-(5-chloro-2-methoxyphenyl)-4-N-cyclopentylpyrimidine-4,5,6-triamine
CID 22546108
4-N-cyclopentyl-6-N-(2-ethylphenyl)pyrimidine-4,5,6-triamine
CID 22544200
4-N-cyclopentyl-6-N-phenylpyrimidine-4,5,6-triamine
CID 19147747
4-N-(2-methoxyphenyl)-6-(2-phenylhydrazinyl)pyrimidine-4,5-diamine
CID 19144325
6-N-(2-methoxyphenyl)-4-N-methyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-4,5,6-triamine
CID 19148204
4-N-cycloheptyl-6-N-(4-methoxyphenyl)pyrimidine-4,5,6-triamine
CID 19149168
6-N-(3-chloro-2-methylphenyl)-4-N-cycloheptylpyrimidine-4,5,6-triamine
CID 22545486
6-N-(2-methoxyethyl)-4-N-(2-methoxyphenyl)pyrimidine-4,5,6-triamine
CID 19148143
6-N-cycloheptyl-4-N-cyclopentylpyrimidine-4,5,6-triamine
CID 19153951
1-[5-amino-6-(2-methoxyanilino)pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 19148218
4-N-(5-chloro-2-pyridinyl)-6-N-(2-methoxyphenyl)pyrimidine-4,5,6-triamine
CID 19147076
4-N-cyclopentyl-6-N-quinolin-5-ylpyrimidine-4,5,6-triamine
CID 19152871

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopentyl-6-N-(2-methoxyphenyl)pyrimidine-4,5,6-triamine?
The IUPAC name of 4-N-cyclopentyl-6-N-(2-methoxyphenyl)pyrimidine-4,5,6-triamine (CID 19148201) is 4-N-cyclopentyl-6-N-(2-methoxyphenyl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N-cyclopentyl-6-N-(2-methoxyphenyl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N-cyclopentyl-6-N-(2-methoxyphenyl)pyrimidine-4,5,6-triamine is COc1ccccc1Nc1ncnc(NC2CCCC2)c1N.
What is the InChIKey of 4-N-cyclopentyl-6-N-(2-methoxyphenyl)pyrimidine-4,5,6-triamine?
The InChIKey is TUXYHPBXZDLNSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-22-13-9-5-4-8-12(13)21-16-14(17)15(18-10-19-16)20-11-6-2-3-7-11/h4-5,8-11H,2-3,6-7,17H2,1H3,(H2,18,19,20,21).
What are the key properties of 4-N-cyclopentyl-6-N-(2-methoxyphenyl)pyrimidine-4,5,6-triamine?
4-N-cyclopentyl-6-N-(2-methoxyphenyl)pyrimidine-4,5,6-triamine has a molecular weight of 299.38 g/mol, XLogP of 3.17, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopentyl-6-N-(2-methoxyphenyl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 19148201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).