4-(2-chloro-7-methyl-5H-cyclopenta[d]pyrimidin-4-yl)morpholine

C12H14ClN3O — CID 166164835

IUPAC4-(2-chloro-7-methyl-5H-cyclopenta[d]pyrimidin-4-yl)morpholine
SMILESCC1=CCc2c1nc(Cl)nc2N1CCOCC1
InChIInChI=1S/C12H14ClN3O/c1-8-2-3-9-10(8)14-12(13)15-11(9)16-4-6-17-7-5-16/h2H,3-7H2,1H3
InChIKeyMLMCYXHTNFRBKK-UHFFFAOYSA-N
MW251.72 g/mol
LogP1.93
Rot. Bonds1

About 4-(2-chloro-7-methyl-5H-cyclopenta[d]pyrimidin-4-yl)morpholine

4-(2-chloro-7-methyl-5H-cyclopenta[d]pyrimidin-4-yl)morpholine (PubChem CID 166164835) has the molecular formula C12H14ClN3O and a molecular weight of 251.72 g/mol. Its IUPAC name is 4-(2-chloro-7-methyl-5H-cyclopenta[d]pyrimidin-4-yl)morpholine.

Molecular Properties

Compound Name4-(2-chloro-7-methyl-5H-cyclopenta[d]pyrimidin-4-yl)morpholine
PubChem CID166164835
Molecular FormulaC12H14ClN3O
Molecular Weight251.72 g/mol
Exact Mass251.08
IUPAC Name4-(2-chloro-7-methyl-5H-cyclopenta[d]pyrimidin-4-yl)morpholine
SMILESCC1=CCc2c1nc(Cl)nc2N1CCOCC1
InChIInChI=1S/C12H14ClN3O/c1-8-2-3-9-10(8)14-12(13)15-11(9)16-4-6-17-7-5-16/h2H,3-7H2,1H3
InChIKeyMLMCYXHTNFRBKK-UHFFFAOYSA-N
XLogP1.93
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(2-chloro-7-methyl-5H-cyclopenta[d]pyrimidin-4-yl)morpholine 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-{2-Methyl-5H,6H,7H-cyclopenta[D]pyrimidin-4-YL}morpholine
CID 71836316
7-[5-(4-fluoropiperidin-1-yl)pentyl]-2-(2-methoxyethyl)-5H-cyclopenta[d]pyrimidin-4-amine
CID 158964925
4-(2-Chloro-6-phenylpyrimidin-4-yl)morpholine
CID 12161266
2-Chloro-4-morpholin-4-yl-6,7-dihydro-5H-cyclopentapyrimidine
CID 12602866
4-(2-methyl-5H-cyclopenta[d]pyrimidin-4-yl)morpholine
CID 58507928
4-(2,6-dimethyl-5H-cyclopenta[d]pyrimidin-4-yl)morpholine
CID 58508103
4-(4,6-Dimethyl-5-propylpyrimidin-2-yl)morpholine
CID 59244651
2-ethyl-4-piperidin-1-yl-7H-cyclopenta[d]pyrimidine
CID 59474263
4-piperidin-1-yl-2-propyl-7H-cyclopenta[d]pyrimidine
CID 59474353
(3S)-4-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-methylmorpholine
CID 87111841
4-(2-Chloro-6-ethyl-5-methylpyrimidin-4-yl)morpholine
CID 89181981
2-methyl-4-piperidin-1-yl-7H-cyclopenta[d]pyrimidine
CID 89516957

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-7-methyl-5H-cyclopenta[d]pyrimidin-4-yl)morpholine?
The IUPAC name of 4-(2-chloro-7-methyl-5H-cyclopenta[d]pyrimidin-4-yl)morpholine (CID 166164835) is 4-(2-chloro-7-methyl-5H-cyclopenta[d]pyrimidin-4-yl)morpholine.
What is the SMILES notation for 4-(2-chloro-7-methyl-5H-cyclopenta[d]pyrimidin-4-yl)morpholine?
The canonical SMILES for 4-(2-chloro-7-methyl-5H-cyclopenta[d]pyrimidin-4-yl)morpholine is CC1=CCc2c1nc(Cl)nc2N1CCOCC1.
What is the InChIKey of 4-(2-chloro-7-methyl-5H-cyclopenta[d]pyrimidin-4-yl)morpholine?
The InChIKey is MLMCYXHTNFRBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O/c1-8-2-3-9-10(8)14-12(13)15-11(9)16-4-6-17-7-5-16/h2H,3-7H2,1H3.
What are the key properties of 4-(2-chloro-7-methyl-5H-cyclopenta[d]pyrimidin-4-yl)morpholine?
4-(2-chloro-7-methyl-5H-cyclopenta[d]pyrimidin-4-yl)morpholine has a molecular weight of 251.72 g/mol, XLogP of 1.93, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-7-methyl-5H-cyclopenta[d]pyrimidin-4-yl)morpholine is sourced from PubChem (CID 166164835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).