5-[(3R)-3-(2-chlorophenyl)pyrrolidine-1-carbonyl]-2-cyclopropyl-1H-pyrimidin-6-one

C18H18ClN3O2 — CID 126435275

IUPAC5-[(3R)-3-(2-chlorophenyl)pyrrolidine-1-carbonyl]-2-cyclopropyl-1H-pyrimidin-6-one
SMILESO=C(c1cnc(C2CC2)[nH]c1=O)N1CC[C@H](c2ccccc2Cl)C1
InChIInChI=1S/C18H18ClN3O2/c19-15-4-2-1-3-13(15)12-7-8-22(10-12)18(24)14-9-20-16(11-5-6-11)21-17(14)23/h1-4,9,11-12H,5-8,10H2,(H,20,21,23)/t12-/m0/s1
InChIKeyFUZMBMXBILHYJL-LBPRGKRZSA-N
MW343.81 g/mol
LogP2.93
Rot. Bonds3

About 5-[(3R)-3-(2-chlorophenyl)pyrrolidine-1-carbonyl]-2-cyclopropyl-1H-pyrimidin-6-one

5-[(3R)-3-(2-chlorophenyl)pyrrolidine-1-carbonyl]-2-cyclopropyl-1H-pyrimidin-6-one (PubChem CID 126435275) has the molecular formula C18H18ClN3O2 and a molecular weight of 343.81 g/mol. Its IUPAC name is 5-[(3R)-3-(2-chlorophenyl)pyrrolidine-1-carbonyl]-2-cyclopropyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[(3R)-3-(2-chlorophenyl)pyrrolidine-1-carbonyl]-2-cyclopropyl-1H-pyrimidin-6-one
PubChem CID126435275
Molecular FormulaC18H18ClN3O2
Molecular Weight343.81 g/mol
Exact Mass343.11
IUPAC Name5-[(3R)-3-(2-chlorophenyl)pyrrolidine-1-carbonyl]-2-cyclopropyl-1H-pyrimidin-6-one
SMILESO=C(c1cnc(C2CC2)[nH]c1=O)N1CC[C@H](c2ccccc2Cl)C1
InChIInChI=1S/C18H18ClN3O2/c19-15-4-2-1-3-13(15)12-7-8-22(10-12)18(24)14-9-20-16(11-5-6-11)21-17(14)23/h1-4,9,11-12H,5-8,10H2,(H,20,21,23)/t12-/m0/s1
InChIKeyFUZMBMXBILHYJL-LBPRGKRZSA-N
XLogP2.93
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[(3R)-3-(2-chlorophenyl)pyrrolidine-1-carbonyl]-2-cyclopropyl-1H-pyrimidin-6-one 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-cyclopropyl-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one
CID 74242568
2-cyclopropyl-5-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidine-1-carbonyl]-1H-pyrimidin-6-one
CID 70786368
(2-chlorophenyl)-[(3R)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone
CID 124949617
[3-(2-chlorophenyl)pyrrolidin-1-yl]-(2-pyridin-4-ylpyrimidin-5-yl)methanone
CID 72926522
2-(propan-2-yloxymethyl)-5-[3-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]-1H-pyrimidin-6-one
CID 158100816
6-methyl-3-[(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 124992825
[3-(2-chlorophenyl)pyrrolidin-1-yl]-(2-morpholin-4-ylphenyl)methanone
CID 118778888
(1-aminocyclopropyl)-[3-(2-chlorophenyl)pyrrolidin-1-yl]methanone
CID 118793699
(1-aminocyclopropyl)-[3-(2-chlorophenyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 154905009
2-[3-[3-(2-chlorophenyl)pyrrolidine-1-carbonyl]phenoxy]acetamide
CID 45207852
(5S)-2-(2-cyclopropyl-6-oxo-1H-pyrimidine-5-carbonyl)-7-ethyl-2,7-diazaspiro[4.5]decan-6-one
CID 97142633
3-chloro-5-[(3S)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 124951550

Frequently Asked Questions

What is the IUPAC name of 5-[(3R)-3-(2-chlorophenyl)pyrrolidine-1-carbonyl]-2-cyclopropyl-1H-pyrimidin-6-one?
The IUPAC name of 5-[(3R)-3-(2-chlorophenyl)pyrrolidine-1-carbonyl]-2-cyclopropyl-1H-pyrimidin-6-one (CID 126435275) is 5-[(3R)-3-(2-chlorophenyl)pyrrolidine-1-carbonyl]-2-cyclopropyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[(3R)-3-(2-chlorophenyl)pyrrolidine-1-carbonyl]-2-cyclopropyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-[(3R)-3-(2-chlorophenyl)pyrrolidine-1-carbonyl]-2-cyclopropyl-1H-pyrimidin-6-one is O=C(c1cnc(C2CC2)[nH]c1=O)N1CC[C@H](c2ccccc2Cl)C1.
What is the InChIKey of 5-[(3R)-3-(2-chlorophenyl)pyrrolidine-1-carbonyl]-2-cyclopropyl-1H-pyrimidin-6-one?
The InChIKey is FUZMBMXBILHYJL-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H18ClN3O2/c19-15-4-2-1-3-13(15)12-7-8-22(10-12)18(24)14-9-20-16(11-5-6-11)21-17(14)23/h1-4,9,11-12H,5-8,10H2,(H,20,21,23)/t12-/m0/s1.
What are the key properties of 5-[(3R)-3-(2-chlorophenyl)pyrrolidine-1-carbonyl]-2-cyclopropyl-1H-pyrimidin-6-one?
5-[(3R)-3-(2-chlorophenyl)pyrrolidine-1-carbonyl]-2-cyclopropyl-1H-pyrimidin-6-one has a molecular weight of 343.81 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R)-3-(2-chlorophenyl)pyrrolidine-1-carbonyl]-2-cyclopropyl-1H-pyrimidin-6-one is sourced from PubChem (CID 126435275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).