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

C15H15ClN2O — CID 61382080

IUPAC4-chloro-2-[(4-methoxyphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESCOc1ccc(Cc2nc(Cl)c3c(n2)CCC3)cc1
InChIInChI=1S/C15H15ClN2O/c1-19-11-7-5-10(6-8-11)9-14-17-13-4-2-3-12(13)15(16)18-14/h5-8H,2-4,9H2,1H3
InChIKeyVPUIRGIOIGFEMN-UHFFFAOYSA-N
MW274.75 g/mol
LogP3.22
Rot. Bonds3

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

4-chloro-2-[(4-methoxyphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine (PubChem CID 61382080) has the molecular formula C15H15ClN2O and a molecular weight of 274.75 g/mol. Its IUPAC name is 4-chloro-2-[(4-methoxyphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-[(4-methoxyphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
PubChem CID61382080
Molecular FormulaC15H15ClN2O
Molecular Weight274.75 g/mol
Exact Mass274.09
IUPAC Name4-chloro-2-[(4-methoxyphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESCOc1ccc(Cc2nc(Cl)c3c(n2)CCC3)cc1
InChIInChI=1S/C15H15ClN2O/c1-19-11-7-5-10(6-8-11)9-14-17-13-4-2-3-12(13)15(16)18-14/h5-8H,2-4,9H2,1H3
InChIKeyVPUIRGIOIGFEMN-UHFFFAOYSA-N
XLogP3.22
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-[(4-chlorophenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 61382087
4-chloro-2-[(4-fluorophenyl)methyl]-5,6,7,8-tetrahydroquinazoline
CID 61382204
4-chloro-2-[(3,4-dimethylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 55131237
4-chloro-2-[(3,5-dimethylphenyl)methyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine
CID 63405761
1-(4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-N,N-dimethylmethanamine
CID 79078275
4-chloro-2-(2-methoxyethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine
CID 63350986
4-chloro-2-[(2-fluorophenyl)methyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine
CID 63350942
4-chloro-2-(3-methoxypropyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine
CID 65095175
4-chloro-2-[(2-chloro-6-fluorophenyl)methyl]-5,6,7,8-tetrahydroquinazoline
CID 63024377
4-chloro-2-(2,2-dimethylpropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 63891705
4-chloro-2-[2-(2-methoxyethoxy)ethyl]-5,6,7,8-tetrahydroquinazoline
CID 102927204
4-chloro-2-[(3-chloro-2-fluorophenyl)methyl]-5,6,7,8-tetrahydroquinazoline
CID 82802480

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(4-methoxyphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The IUPAC name of 4-chloro-2-[(4-methoxyphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine (CID 61382080) is 4-chloro-2-[(4-methoxyphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine.
What is the SMILES notation for 4-chloro-2-[(4-methoxyphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The canonical SMILES for 4-chloro-2-[(4-methoxyphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine is COc1ccc(Cc2nc(Cl)c3c(n2)CCC3)cc1.
What is the InChIKey of 4-chloro-2-[(4-methoxyphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The InChIKey is VPUIRGIOIGFEMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O/c1-19-11-7-5-10(6-8-11)9-14-17-13-4-2-3-12(13)15(16)18-14/h5-8H,2-4,9H2,1H3.
What are the key properties of 4-chloro-2-[(4-methoxyphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
4-chloro-2-[(4-methoxyphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine has a molecular weight of 274.75 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(4-methoxyphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 61382080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).