1-(2-chloro-7-methyl-4-morpholin-4-yl-5H-cyclopenta[d]pyrimidin-6-yl)-2-hydroxyethanone

C14H16ClN3O3 — CID 167214059

IUPAC1-(2-chloro-7-methyl-4-morpholin-4-yl-5H-cyclopenta[d]pyrimidin-6-yl)-2-hydroxyethanone
SMILESCC1=C(C(=O)CO)Cc2c1nc(Cl)nc2N1CCOCC1
InChIInChI=1S/C14H16ClN3O3/c1-8-9(11(20)7-19)6-10-12(8)16-14(15)17-13(10)18-2-4-21-5-3-18/h19H,2-7H2,1H3
InChIKeyMXSOCGDPKJYLBR-UHFFFAOYSA-N
MW309.75 g/mol
LogP0.86
Rot. Bonds3

About 1-(2-chloro-7-methyl-4-morpholin-4-yl-5H-cyclopenta[d]pyrimidin-6-yl)-2-hydroxyethanone

1-(2-chloro-7-methyl-4-morpholin-4-yl-5H-cyclopenta[d]pyrimidin-6-yl)-2-hydroxyethanone (PubChem CID 167214059) has the molecular formula C14H16ClN3O3 and a molecular weight of 309.75 g/mol. Its IUPAC name is 1-(2-chloro-7-methyl-4-morpholin-4-yl-5H-cyclopenta[d]pyrimidin-6-yl)-2-hydroxyethanone.

Molecular Properties

Compound Name1-(2-chloro-7-methyl-4-morpholin-4-yl-5H-cyclopenta[d]pyrimidin-6-yl)-2-hydroxyethanone
PubChem CID167214059
Molecular FormulaC14H16ClN3O3
Molecular Weight309.75 g/mol
Exact Mass309.09
IUPAC Name1-(2-chloro-7-methyl-4-morpholin-4-yl-5H-cyclopenta[d]pyrimidin-6-yl)-2-hydroxyethanone
SMILESCC1=C(C(=O)CO)Cc2c1nc(Cl)nc2N1CCOCC1
InChIInChI=1S/C14H16ClN3O3/c1-8-9(11(20)7-19)6-10-12(8)16-14(15)17-13(10)18-2-4-21-5-3-18/h19H,2-7H2,1H3
InChIKeyMXSOCGDPKJYLBR-UHFFFAOYSA-N
XLogP0.86
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.75
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(2-chloro-7-methyl-4-morpholin-4-yl-5H-cyclopenta[d]pyrimidin-6-yl)-2-hydroxyethanone 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

2-chloro-5-fluoro-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 146469522
tert-butyl 2-chloro-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate
CID 59239183
N-[2-(2-chloro-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)ethyl]benzamide
CID 90831532
(2-chloro-9-ethyl-6-morpholin-4-ylpurin-8-yl)methanol
CID 58439142
2-chloro-4-morpholin-4-ylfuro[3,2-d]pyrimidine-6-carboxamide
CID 86618417
N-(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)propanamide
CID 86618387
methane;methyl 2-chloro-5-fluoro-6-morpholin-4-ylpyrimidine-4-carboxylate;methyl 2,6-dichloro-5-fluoropyrimidine-4-carboxylate;oxane
CID 165061597
N-[(2-chloro-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]-N-methylbenzamide
CID 59829525
4-(2-chloro-8,9-dimethylpurin-6-yl)morpholine
CID 59806507
4-(5-chloro-2-methyl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)morpholine
CID 58234939
4-(2-chloro-7,8-dimethylpurin-6-yl)morpholine
CID 162379156
3-(2-chloro-6-morpholin-4-ylpurin-9-yl)propanoic acid
CID 123591133

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-7-methyl-4-morpholin-4-yl-5H-cyclopenta[d]pyrimidin-6-yl)-2-hydroxyethanone?
The IUPAC name of 1-(2-chloro-7-methyl-4-morpholin-4-yl-5H-cyclopenta[d]pyrimidin-6-yl)-2-hydroxyethanone (CID 167214059) is 1-(2-chloro-7-methyl-4-morpholin-4-yl-5H-cyclopenta[d]pyrimidin-6-yl)-2-hydroxyethanone.
What is the SMILES notation for 1-(2-chloro-7-methyl-4-morpholin-4-yl-5H-cyclopenta[d]pyrimidin-6-yl)-2-hydroxyethanone?
The canonical SMILES for 1-(2-chloro-7-methyl-4-morpholin-4-yl-5H-cyclopenta[d]pyrimidin-6-yl)-2-hydroxyethanone is CC1=C(C(=O)CO)Cc2c1nc(Cl)nc2N1CCOCC1.
What is the InChIKey of 1-(2-chloro-7-methyl-4-morpholin-4-yl-5H-cyclopenta[d]pyrimidin-6-yl)-2-hydroxyethanone?
The InChIKey is MXSOCGDPKJYLBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O3/c1-8-9(11(20)7-19)6-10-12(8)16-14(15)17-13(10)18-2-4-21-5-3-18/h19H,2-7H2,1H3.
What are the key properties of 1-(2-chloro-7-methyl-4-morpholin-4-yl-5H-cyclopenta[d]pyrimidin-6-yl)-2-hydroxyethanone?
1-(2-chloro-7-methyl-4-morpholin-4-yl-5H-cyclopenta[d]pyrimidin-6-yl)-2-hydroxyethanone has a molecular weight of 309.75 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-7-methyl-4-morpholin-4-yl-5H-cyclopenta[d]pyrimidin-6-yl)-2-hydroxyethanone is sourced from PubChem (CID 167214059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).