6-N-(5-chloro-2-methoxyphenyl)-4-N-cyclopentylpyrimidine-4,5,6-triamine

C16H20ClN5O — CID 22546108

IUPAC6-N-(5-chloro-2-methoxyphenyl)-4-N-cyclopentylpyrimidine-4,5,6-triamine
SMILESCOc1ccc(Cl)cc1Nc1ncnc(NC2CCCC2)c1N
InChIInChI=1S/C16H20ClN5O/c1-23-13-7-6-10(17)8-12(13)22-16-14(18)15(19-9-20-16)21-11-4-2-3-5-11/h6-9,11H,2-5,18H2,1H3,(H2,19,20,21,22)
InChIKeyHVQYGNDQSBRXHH-UHFFFAOYSA-N
MW333.82 g/mol
LogP3.82
Rot. Bonds5

About 6-N-(5-chloro-2-methoxyphenyl)-4-N-cyclopentylpyrimidine-4,5,6-triamine

6-N-(5-chloro-2-methoxyphenyl)-4-N-cyclopentylpyrimidine-4,5,6-triamine (PubChem CID 22546108) has the molecular formula C16H20ClN5O and a molecular weight of 333.82 g/mol. Its IUPAC name is 6-N-(5-chloro-2-methoxyphenyl)-4-N-cyclopentylpyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name6-N-(5-chloro-2-methoxyphenyl)-4-N-cyclopentylpyrimidine-4,5,6-triamine
PubChem CID22546108
Molecular FormulaC16H20ClN5O
Molecular Weight333.82 g/mol
Exact Mass333.14
IUPAC Name6-N-(5-chloro-2-methoxyphenyl)-4-N-cyclopentylpyrimidine-4,5,6-triamine
SMILESCOc1ccc(Cl)cc1Nc1ncnc(NC2CCCC2)c1N
InChIInChI=1S/C16H20ClN5O/c1-23-13-7-6-10(17)8-12(13)22-16-14(18)15(19-9-20-16)21-11-4-2-3-5-11/h6-9,11H,2-5,18H2,1H3,(H2,19,20,21,22)
InChIKeyHVQYGNDQSBRXHH-UHFFFAOYSA-N
XLogP3.82
TPSA85.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-cyclopentyl-6-N-(2-methoxyphenyl)pyrimidine-4,5,6-triamine
CID 19148201
4-N-cyclopentyl-6-N-(2,4-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 19149855
4-N-cycloheptyl-6-N-(2,4-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 19149860
6-N-(5-chloro-2-methoxyphenyl)-4-N-cyclohexyl-2-methylpyrimidine-4,6-diamine
CID 112869079
6-N-(5-chloro-2-methoxyphenyl)-4-N-cycloheptyl-2-methylpyrimidine-4,6-diamine
CID 112876038
4-N-(5-chloro-2,4-dimethoxyphenyl)-6-N-(5-chloro-2-methylphenyl)pyrimidine-4,5,6-triamine
CID 22547319
6-N-(2,4-dichlorophenyl)-4-N-(2,5-dimethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19142724
6-N-(2,4-dichlorophenyl)-4-N-(2-methoxy-5-methylphenyl)pyrimidine-4,5,6-triamine
CID 22541920
N-[4-[[5-amino-6-(5-chloro-2-methoxyanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 22546092
4-N-(5-chloro-2-methoxyphenyl)-6-(4-methylphenoxy)pyrimidine-4,5-diamine
CID 22546079
3-N-(5-chloro-2-methoxyphenyl)pyrazine-2,3-diamine
CID 102985025
3-N-(5-chloro-2-methoxyphenyl)-5-N-cyclopentyl-1,2,4-triazine-3,5-diamine
CID 112941542

Frequently Asked Questions

What is the IUPAC name of 6-N-(5-chloro-2-methoxyphenyl)-4-N-cyclopentylpyrimidine-4,5,6-triamine?
The IUPAC name of 6-N-(5-chloro-2-methoxyphenyl)-4-N-cyclopentylpyrimidine-4,5,6-triamine (CID 22546108) is 6-N-(5-chloro-2-methoxyphenyl)-4-N-cyclopentylpyrimidine-4,5,6-triamine.
What is the SMILES notation for 6-N-(5-chloro-2-methoxyphenyl)-4-N-cyclopentylpyrimidine-4,5,6-triamine?
The canonical SMILES for 6-N-(5-chloro-2-methoxyphenyl)-4-N-cyclopentylpyrimidine-4,5,6-triamine is COc1ccc(Cl)cc1Nc1ncnc(NC2CCCC2)c1N.
What is the InChIKey of 6-N-(5-chloro-2-methoxyphenyl)-4-N-cyclopentylpyrimidine-4,5,6-triamine?
The InChIKey is HVQYGNDQSBRXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN5O/c1-23-13-7-6-10(17)8-12(13)22-16-14(18)15(19-9-20-16)21-11-4-2-3-5-11/h6-9,11H,2-5,18H2,1H3,(H2,19,20,21,22).
What are the key properties of 6-N-(5-chloro-2-methoxyphenyl)-4-N-cyclopentylpyrimidine-4,5,6-triamine?
6-N-(5-chloro-2-methoxyphenyl)-4-N-cyclopentylpyrimidine-4,5,6-triamine has a molecular weight of 333.82 g/mol, XLogP of 3.82, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(5-chloro-2-methoxyphenyl)-4-N-cyclopentylpyrimidine-4,5,6-triamine is sourced from PubChem (CID 22546108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).