[3-(pyrimidin-2-ylamino)azetidin-1-yl]-quinolin-2-ylmethanone

C17H15N5O — CID 121187471

IUPAC[3-(pyrimidin-2-ylamino)azetidin-1-yl]-quinolin-2-ylmethanone
SMILESO=C(c1ccc2ccccc2n1)N1CC(Nc2ncccn2)C1
InChIInChI=1S/C17H15N5O/c23-16(15-7-6-12-4-1-2-5-14(12)21-15)22-10-13(11-22)20-17-18-8-3-9-19-17/h1-9,13H,10-11H2,(H,18,19,20)
InChIKeyYADNYZKZSFXMJP-UHFFFAOYSA-N
MW305.34 g/mol
LogP1.96
Rot. Bonds3

About [3-(pyrimidin-2-ylamino)azetidin-1-yl]-quinolin-2-ylmethanone

[3-(pyrimidin-2-ylamino)azetidin-1-yl]-quinolin-2-ylmethanone (PubChem CID 121187471) has the molecular formula C17H15N5O and a molecular weight of 305.34 g/mol. Its IUPAC name is [3-(pyrimidin-2-ylamino)azetidin-1-yl]-quinolin-2-ylmethanone.

Molecular Properties

Compound Name[3-(pyrimidin-2-ylamino)azetidin-1-yl]-quinolin-2-ylmethanone
PubChem CID121187471
Molecular FormulaC17H15N5O
Molecular Weight305.34 g/mol
Exact Mass305.13
IUPAC Name[3-(pyrimidin-2-ylamino)azetidin-1-yl]-quinolin-2-ylmethanone
SMILESO=C(c1ccc2ccccc2n1)N1CC(Nc2ncccn2)C1
InChIInChI=1S/C17H15N5O/c23-16(15-7-6-12-4-1-2-5-14(12)21-15)22-10-13(11-22)20-17-18-8-3-9-19-17/h1-9,13H,10-11H2,(H,18,19,20)
InChIKeyYADNYZKZSFXMJP-UHFFFAOYSA-N
XLogP1.96
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(pyrimidin-2-ylamino)azetidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 121020982
[(3R,5R)-3,5-dimethylpiperidin-1-yl]-quinolin-2-ylmethanone
CID 40744893
(2-chlorophenyl)-[3-(pyrimidin-2-ylamino)azetidin-1-yl]methanone
CID 121020964
(4-pyridin-2-ylpiperazin-1-yl)-quinolin-2-ylmethanone
CID 3691532
[(3S,4S)-3-(hydroxymethyl)-4-pyridin-2-ylpyrrolidin-1-yl]-quinolin-2-ylmethanone
CID 110203319
pyridin-2-yl-[3-(quinolin-2-ylamino)pyrrolidin-1-yl]methanone
CID 133404500
azepan-1-yl(quinolin-2-yl)methanone
CID 7779308
1-(quinoline-2-carbonyl)piperidin-4-one
CID 2556285
[(3R)-3-aminopiperidin-1-yl]-quinolin-2-ylmethanone
CID 102978482
2-[[1-(quinoline-2-carbonyl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126926685
(4-fluorophenyl)-[4-(quinoline-2-carbonyl)piperazin-1-yl]methanone
CID 38388017
[3-(4-bromopyrazol-1-yl)azetidin-1-yl]-quinolin-2-ylmethanone
CID 126901159

Frequently Asked Questions

What is the IUPAC name of [3-(pyrimidin-2-ylamino)azetidin-1-yl]-quinolin-2-ylmethanone?
The IUPAC name of [3-(pyrimidin-2-ylamino)azetidin-1-yl]-quinolin-2-ylmethanone (CID 121187471) is [3-(pyrimidin-2-ylamino)azetidin-1-yl]-quinolin-2-ylmethanone.
What is the SMILES notation for [3-(pyrimidin-2-ylamino)azetidin-1-yl]-quinolin-2-ylmethanone?
The canonical SMILES for [3-(pyrimidin-2-ylamino)azetidin-1-yl]-quinolin-2-ylmethanone is O=C(c1ccc2ccccc2n1)N1CC(Nc2ncccn2)C1.
What is the InChIKey of [3-(pyrimidin-2-ylamino)azetidin-1-yl]-quinolin-2-ylmethanone?
The InChIKey is YADNYZKZSFXMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O/c23-16(15-7-6-12-4-1-2-5-14(12)21-15)22-10-13(11-22)20-17-18-8-3-9-19-17/h1-9,13H,10-11H2,(H,18,19,20).
What are the key properties of [3-(pyrimidin-2-ylamino)azetidin-1-yl]-quinolin-2-ylmethanone?
[3-(pyrimidin-2-ylamino)azetidin-1-yl]-quinolin-2-ylmethanone has a molecular weight of 305.34 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(pyrimidin-2-ylamino)azetidin-1-yl]-quinolin-2-ylmethanone is sourced from PubChem (CID 121187471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).