(2-chlorophenyl)-[3-(pyrimidin-2-ylamino)azetidin-1-yl]methanone

C14H13ClN4O — CID 121020964

IUPAC(2-chlorophenyl)-[3-(pyrimidin-2-ylamino)azetidin-1-yl]methanone
SMILESO=C(c1ccccc1Cl)N1CC(Nc2ncccn2)C1
InChIInChI=1S/C14H13ClN4O/c15-12-5-2-1-4-11(12)13(20)19-8-10(9-19)18-14-16-6-3-7-17-14/h1-7,10H,8-9H2,(H,16,17,18)
InChIKeyOETKGCNSOSYCPG-UHFFFAOYSA-N
MW288.74 g/mol
LogP2.07
Rot. Bonds3

About (2-chlorophenyl)-[3-(pyrimidin-2-ylamino)azetidin-1-yl]methanone

(2-chlorophenyl)-[3-(pyrimidin-2-ylamino)azetidin-1-yl]methanone (PubChem CID 121020964) has the molecular formula C14H13ClN4O and a molecular weight of 288.74 g/mol. Its IUPAC name is (2-chlorophenyl)-[3-(pyrimidin-2-ylamino)azetidin-1-yl]methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-[3-(pyrimidin-2-ylamino)azetidin-1-yl]methanone
PubChem CID121020964
Molecular FormulaC14H13ClN4O
Molecular Weight288.74 g/mol
Exact Mass288.08
IUPAC Name(2-chlorophenyl)-[3-(pyrimidin-2-ylamino)azetidin-1-yl]methanone
SMILESO=C(c1ccccc1Cl)N1CC(Nc2ncccn2)C1
InChIInChI=1S/C14H13ClN4O/c15-12-5-2-1-4-11(12)13(20)19-8-10(9-19)18-14-16-6-3-7-17-14/h1-7,10H,8-9H2,(H,16,17,18)
InChIKeyOETKGCNSOSYCPG-UHFFFAOYSA-N
XLogP2.07
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.74
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-3-[3-(pyrimidin-2-ylamino)azetidine-1-carbonyl]pyridin-2-one
CID 121187305
[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[3-(pyrimidin-2-ylamino)azetidin-1-yl]methanone
CID 121187368
(4-chloro-2,3-difluorophenyl)-[3-(pyrimidin-2-ylamino)pyrrolidin-1-yl]methanone
CID 166278451
[3-(pyrimidin-2-ylamino)azetidin-1-yl]-quinolin-2-ylmethanone
CID 121187471
(2-chlorophenyl)-(3-pyridin-2-yloxyazetidin-1-yl)methanone
CID 122247119
N-[1-(3-chloro-2-pyridinyl)azetidin-3-yl]pyrimidin-2-amine
CID 121184363
[3-(pyrimidin-2-ylamino)azetidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 121020982
(2-chloro-3-pyridinyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106668646
3-[3-(pyrimidin-2-ylamino)azetidine-1-carbonyl]benzonitrile
CID 121020949
1-phenyl-4-[3-(pyrimidin-2-ylamino)azetidin-1-yl]butane-1,4-dione
CID 121187428
(2-chlorophenyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 3516702
(3-azidoazetidin-1-yl)-(2-chlorophenyl)methanone
CID 121200452

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-[3-(pyrimidin-2-ylamino)azetidin-1-yl]methanone?
The IUPAC name of (2-chlorophenyl)-[3-(pyrimidin-2-ylamino)azetidin-1-yl]methanone (CID 121020964) is (2-chlorophenyl)-[3-(pyrimidin-2-ylamino)azetidin-1-yl]methanone.
What is the SMILES notation for (2-chlorophenyl)-[3-(pyrimidin-2-ylamino)azetidin-1-yl]methanone?
The canonical SMILES for (2-chlorophenyl)-[3-(pyrimidin-2-ylamino)azetidin-1-yl]methanone is O=C(c1ccccc1Cl)N1CC(Nc2ncccn2)C1.
What is the InChIKey of (2-chlorophenyl)-[3-(pyrimidin-2-ylamino)azetidin-1-yl]methanone?
The InChIKey is OETKGCNSOSYCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4O/c15-12-5-2-1-4-11(12)13(20)19-8-10(9-19)18-14-16-6-3-7-17-14/h1-7,10H,8-9H2,(H,16,17,18).
What are the key properties of (2-chlorophenyl)-[3-(pyrimidin-2-ylamino)azetidin-1-yl]methanone?
(2-chlorophenyl)-[3-(pyrimidin-2-ylamino)azetidin-1-yl]methanone has a molecular weight of 288.74 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-[3-(pyrimidin-2-ylamino)azetidin-1-yl]methanone is sourced from PubChem (CID 121020964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).