4-chloro-2-(phenoxymethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine

C14H13ClN2O — CID 62716700

IUPAC4-chloro-2-(phenoxymethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESClc1nc(COc2ccccc2)nc2c1CCC2
InChIInChI=1S/C14H13ClN2O/c15-14-11-7-4-8-12(11)16-13(17-14)9-18-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2
InChIKeyMMCMITYIKYMJMS-UHFFFAOYSA-N
MW260.72 g/mol
LogP3.20
Rot. Bonds3

About 4-chloro-2-(phenoxymethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine

4-chloro-2-(phenoxymethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine (PubChem CID 62716700) has the molecular formula C14H13ClN2O and a molecular weight of 260.72 g/mol. Its IUPAC name is 4-chloro-2-(phenoxymethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-(phenoxymethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
PubChem CID62716700
Molecular FormulaC14H13ClN2O
Molecular Weight260.72 g/mol
Exact Mass260.07
IUPAC Name4-chloro-2-(phenoxymethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESClc1nc(COc2ccccc2)nc2c1CCC2
InChIInChI=1S/C14H13ClN2O/c15-14-11-7-4-8-12(11)16-13(17-14)9-18-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2
InChIKeyMMCMITYIKYMJMS-UHFFFAOYSA-N
XLogP3.20
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.72
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-chloro-2-(phenoxymethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Chloro-5-(4-methoxybenzyl)-6-methylpyrimidin-2-amine
CID 919161
5-[3-(2-Chlorophenoxy)propyl]-6-methylpyrimidine-2,4-diamine
CID 44531878
5-[3-(3-Chlorophenoxy)propyl]-6-methylpyrimidine-2,4-diamine
CID 44532044
N-(4-ethoxyphenyl)-N,2-dimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;hydrochloride
CID 73293919
Pyrimidine, 4-amino-2-((m-chlorophenoxy)methyl)-6-methyl-, hydrochloride
CID 3051323
Pyrimidine, 2-((m-chlorophenoxy)methyl)-4-(diethylamino)-6-methyl-, hydrochloride
CID 3025157
Pyrimidine, 4-amino-6-methyl-2-((m-tolyloxy)methyl)-, hydrochloride
CID 3051321
N-(2-isopropoxyphenyl)-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 22695652
2-Amino-4-chlor-6-methyl-5-phenoxypyrimidin
CID 85578665
2,4-dichloro-6-[(E)-2-(4-methoxyphenyl)ethenyl]pyrimidine
CID 117977245
N~4~-[2-(4-chlorophenoxy)ethyl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine-2,4-diamine
CID 56897514
2-(4-chlorophenyl)-4-[(4-fluorophenyl)methoxy]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 10043738

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(phenoxymethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The IUPAC name of 4-chloro-2-(phenoxymethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine (CID 62716700) is 4-chloro-2-(phenoxymethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine.
What is the SMILES notation for 4-chloro-2-(phenoxymethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The canonical SMILES for 4-chloro-2-(phenoxymethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine is Clc1nc(COc2ccccc2)nc2c1CCC2.
What is the InChIKey of 4-chloro-2-(phenoxymethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The InChIKey is MMCMITYIKYMJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O/c15-14-11-7-4-8-12(11)16-13(17-14)9-18-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2.
What are the key properties of 4-chloro-2-(phenoxymethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
4-chloro-2-(phenoxymethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine has a molecular weight of 260.72 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(phenoxymethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 62716700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).