2-(3-chloro-4-methoxyphenyl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

C15H16ClN3O — CID 65022151

IUPAC2-(3-chloro-4-methoxyphenyl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCNc1nc(-c2ccc(OC)c(Cl)c2)nc2c1CCC2
InChIInChI=1S/C15H16ClN3O/c1-17-15-10-4-3-5-12(10)18-14(19-15)9-6-7-13(20-2)11(16)8-9/h6-8H,3-5H2,1-2H3,(H,17,18,19)
InChIKeyPEHKNHGZUCBOHS-UHFFFAOYSA-N
MW289.77 g/mol
LogP3.34
Rot. Bonds3

About 2-(3-chloro-4-methoxyphenyl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

2-(3-chloro-4-methoxyphenyl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 65022151) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is 2-(3-chloro-4-methoxyphenyl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(3-chloro-4-methoxyphenyl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID65022151
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC Name2-(3-chloro-4-methoxyphenyl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCNc1nc(-c2ccc(OC)c(Cl)c2)nc2c1CCC2
InChIInChI=1S/C15H16ClN3O/c1-17-15-10-4-3-5-12(10)18-14(19-15)9-6-7-13(20-2)11(16)8-9/h6-8H,3-5H2,1-2H3,(H,17,18,19)
InChIKeyPEHKNHGZUCBOHS-UHFFFAOYSA-N
XLogP3.34
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-5-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]phenol
CID 62204243
2-methoxy-5-[4-(methylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]phenol
CID 62202423
2-(4-chlorophenyl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62192291
2-(2-chloro-6-methoxyphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 104818200
2-(2-methoxy-4-methylphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 106793023
2-(3,5-dichlorophenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 63479501
2-(3-chloro-4-methoxyphenyl)-6-ethyl-N,5-dimethylpyrimidin-4-amine
CID 65022448
2-[4-(difluoromethyl)phenyl]-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 115525301
2,4-bis(3,4-dimethoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 101176072
2-(6-methoxy-3-pyridinyl)-N-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 114938362
2-(3-chloro-4-methoxyphenyl)-N,6-dimethylpyrimidin-4-amine
CID 65022234
[2-(3-chloro-4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
CID 63088195

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methoxyphenyl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of 2-(3-chloro-4-methoxyphenyl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (CID 65022151) is 2-(3-chloro-4-methoxyphenyl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for 2-(3-chloro-4-methoxyphenyl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for 2-(3-chloro-4-methoxyphenyl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is CNc1nc(-c2ccc(OC)c(Cl)c2)nc2c1CCC2.
What is the InChIKey of 2-(3-chloro-4-methoxyphenyl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is PEHKNHGZUCBOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O/c1-17-15-10-4-3-5-12(10)18-14(19-15)9-6-7-13(20-2)11(16)8-9/h6-8H,3-5H2,1-2H3,(H,17,18,19).
What are the key properties of 2-(3-chloro-4-methoxyphenyl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
2-(3-chloro-4-methoxyphenyl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 289.77 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methoxyphenyl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 65022151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).