(5-chloro-2-pyrrolidin-1-ylpyrimidin-4-yl)-[(2S)-2-phenylazetidin-1-yl]methanone

C18H19ClN4O — CID 94468049

IUPAC(5-chloro-2-pyrrolidin-1-ylpyrimidin-4-yl)-[(2S)-2-phenylazetidin-1-yl]methanone
SMILESO=C(c1nc(N2CCCC2)ncc1Cl)N1CC[C@H]1c1ccccc1
InChIInChI=1S/C18H19ClN4O/c19-14-12-20-18(22-9-4-5-10-22)21-16(14)17(24)23-11-8-15(23)13-6-2-1-3-7-13/h1-3,6-7,12,15H,4-5,8-11H2/t15-/m0/s1
InChIKeyVBOMHRMYXKQWOA-HNNXBMFYSA-N
MW342.83 g/mol
LogP3.32
Rot. Bonds3

About (5-chloro-2-pyrrolidin-1-ylpyrimidin-4-yl)-[(2S)-2-phenylazetidin-1-yl]methanone

(5-chloro-2-pyrrolidin-1-ylpyrimidin-4-yl)-[(2S)-2-phenylazetidin-1-yl]methanone (PubChem CID 94468049) has the molecular formula C18H19ClN4O and a molecular weight of 342.83 g/mol. Its IUPAC name is (5-chloro-2-pyrrolidin-1-ylpyrimidin-4-yl)-[(2S)-2-phenylazetidin-1-yl]methanone.

Molecular Properties

Compound Name(5-chloro-2-pyrrolidin-1-ylpyrimidin-4-yl)-[(2S)-2-phenylazetidin-1-yl]methanone
PubChem CID94468049
Molecular FormulaC18H19ClN4O
Molecular Weight342.83 g/mol
Exact Mass342.12
IUPAC Name(5-chloro-2-pyrrolidin-1-ylpyrimidin-4-yl)-[(2S)-2-phenylazetidin-1-yl]methanone
SMILESO=C(c1nc(N2CCCC2)ncc1Cl)N1CC[C@H]1c1ccccc1
InChIInChI=1S/C18H19ClN4O/c19-14-12-20-18(22-9-4-5-10-22)21-16(14)17(24)23-11-8-15(23)13-6-2-1-3-7-13/h1-3,6-7,12,15H,4-5,8-11H2/t15-/m0/s1
InChIKeyVBOMHRMYXKQWOA-HNNXBMFYSA-N
XLogP3.32
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(azetidin-1-yl)-5-chloropyrimidine-4-carboxylic acid
CID 84679906
(3R)-4-(5-chloro-2-pyrrolidin-1-ylpyrimidine-4-carbonyl)morpholine-3-carboxylic acid
CID 125152988
(3,6-dichloro-2-pyridinyl)-[(2R)-2-phenylpyrrolidin-1-yl]methanone
CID 30417532
5-chloro-N-[2-[(2R)-4-methyl-2-phenylpiperazin-1-yl]ethyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 51964590
5-chloro-N-phenyl-N-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 87037741
1-(5-chloro-2-piperidin-1-ylpyrimidine-4-carbonyl)pyrrolidine-3-carboxamide
CID 56797170
5-chloro-N-cycloheptyl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 51116278
1-(5-chloro-2-pyrrolidin-1-ylpyrimidine-4-carbonyl)-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 55777834
N-(1-benzylpiperidin-3-yl)-5-chloro-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 55850513
2-[(5-chloro-2-pyrrolidin-1-ylpyrimidine-4-carbonyl)-cyclopropylamino]acetic acid
CID 119195202
1-(5-chloro-2-pyrrolidin-1-ylpyrimidine-4-carbonyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 60506834
2-[(2S)-4-(5-chloro-2-pyrrolidin-1-ylpyrimidine-4-carbonyl)morpholin-2-yl]acetic acid
CID 125153278

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-pyrrolidin-1-ylpyrimidin-4-yl)-[(2S)-2-phenylazetidin-1-yl]methanone?
The IUPAC name of (5-chloro-2-pyrrolidin-1-ylpyrimidin-4-yl)-[(2S)-2-phenylazetidin-1-yl]methanone (CID 94468049) is (5-chloro-2-pyrrolidin-1-ylpyrimidin-4-yl)-[(2S)-2-phenylazetidin-1-yl]methanone.
What is the SMILES notation for (5-chloro-2-pyrrolidin-1-ylpyrimidin-4-yl)-[(2S)-2-phenylazetidin-1-yl]methanone?
The canonical SMILES for (5-chloro-2-pyrrolidin-1-ylpyrimidin-4-yl)-[(2S)-2-phenylazetidin-1-yl]methanone is O=C(c1nc(N2CCCC2)ncc1Cl)N1CC[C@H]1c1ccccc1.
What is the InChIKey of (5-chloro-2-pyrrolidin-1-ylpyrimidin-4-yl)-[(2S)-2-phenylazetidin-1-yl]methanone?
The InChIKey is VBOMHRMYXKQWOA-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H19ClN4O/c19-14-12-20-18(22-9-4-5-10-22)21-16(14)17(24)23-11-8-15(23)13-6-2-1-3-7-13/h1-3,6-7,12,15H,4-5,8-11H2/t15-/m0/s1.
What are the key properties of (5-chloro-2-pyrrolidin-1-ylpyrimidin-4-yl)-[(2S)-2-phenylazetidin-1-yl]methanone?
(5-chloro-2-pyrrolidin-1-ylpyrimidin-4-yl)-[(2S)-2-phenylazetidin-1-yl]methanone has a molecular weight of 342.83 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-pyrrolidin-1-ylpyrimidin-4-yl)-[(2S)-2-phenylazetidin-1-yl]methanone is sourced from PubChem (CID 94468049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).