[3-(2-amino-6-methylpyrimidin-4-yl)phenyl]-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methanone

C21H27N5O — CID 119067455

IUPAC[3-(2-amino-6-methylpyrimidin-4-yl)phenyl]-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methanone
SMILESCc1cc(-c2cccc(C(=O)N3CC(N4CCCCC4C)C3)c2)nc(N)n1
InChIInChI=1S/C21H27N5O/c1-14-10-19(24-21(22)23-14)16-7-5-8-17(11-16)20(27)25-12-18(13-25)26-9-4-3-6-15(26)2/h5,7-8,10-11,15,18H,3-4,6,9,12-13H2,1-2H3,(H2,22,23,24)
InChIKeyWWLTUSIZXYJYMY-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.73
Rot. Bonds3

About [3-(2-amino-6-methylpyrimidin-4-yl)phenyl]-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methanone

[3-(2-amino-6-methylpyrimidin-4-yl)phenyl]-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methanone (PubChem CID 119067455) has the molecular formula C21H27N5O and a molecular weight of 365.48 g/mol. Its IUPAC name is [3-(2-amino-6-methylpyrimidin-4-yl)phenyl]-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methanone.

Molecular Properties

Compound Name[3-(2-amino-6-methylpyrimidin-4-yl)phenyl]-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methanone
PubChem CID119067455
Molecular FormulaC21H27N5O
Molecular Weight365.48 g/mol
Exact Mass365.22
IUPAC Name[3-(2-amino-6-methylpyrimidin-4-yl)phenyl]-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methanone
SMILESCc1cc(-c2cccc(C(=O)N3CC(N4CCCCC4C)C3)c2)nc(N)n1
InChIInChI=1S/C21H27N5O/c1-14-10-19(24-21(22)23-14)16-7-5-8-17(11-16)20(27)25-12-18(13-25)26-9-4-3-6-15(26)2/h5,7-8,10-11,15,18H,3-4,6,9,12-13H2,1-2H3,(H2,22,23,24)
InChIKeyWWLTUSIZXYJYMY-UHFFFAOYSA-N
XLogP2.73
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-(2-amino-6-methylpyrimidin-4-yl)phenyl]-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methanone 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

[3-(4-hydroxyphenyl)phenyl]-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methanone
CID 74246562
6-[4-[3-[(2R)-2-methylpiperidin-1-yl]azetidine-1-carbonyl]phenyl]pyridine-2-carbonitrile
CID 126452632
(1-ethylindol-5-yl)-[3-[(2R)-2-methylpiperidin-1-yl]azetidin-1-yl]methanone
CID 125155690
(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methanone
CID 77087976
(5R)-7-[3-(2-amino-6-methylpyrimidin-4-yl)benzoyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 125178317
(4-chloro-2-hydroxyphenyl)-[3-[(2R)-2-methylpiperidin-1-yl]azetidin-1-yl]methanone
CID 97189656
(3S)-1-[3-(6-amino-2-methylsulfanylpyrimidin-4-yl)benzoyl]piperidine-3-carboxamide
CID 126432128
3-[6-methyl-2-[(2S)-1-methylpiperidin-2-yl]pyrimidin-4-yl]benzoic acid
CID 124992514
2-(benzotriazol-2-yl)-1-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]ethanone
CID 96579253
[4-[5-fluoro-4-(methylamino)pyrimidin-2-yl]phenyl]-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]methanone
CID 126435260
[4-(3-methoxy-4-pyridinyl)phenyl]-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methanone
CID 164699560
[3-[(2R)-2-methylpiperidin-1-yl]azetidin-1-yl]-[1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazol-5-yl]methanone
CID 97197985

Frequently Asked Questions

What is the IUPAC name of [3-(2-amino-6-methylpyrimidin-4-yl)phenyl]-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methanone?
The IUPAC name of [3-(2-amino-6-methylpyrimidin-4-yl)phenyl]-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methanone (CID 119067455) is [3-(2-amino-6-methylpyrimidin-4-yl)phenyl]-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methanone.
What is the SMILES notation for [3-(2-amino-6-methylpyrimidin-4-yl)phenyl]-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methanone?
The canonical SMILES for [3-(2-amino-6-methylpyrimidin-4-yl)phenyl]-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methanone is Cc1cc(-c2cccc(C(=O)N3CC(N4CCCCC4C)C3)c2)nc(N)n1.
What is the InChIKey of [3-(2-amino-6-methylpyrimidin-4-yl)phenyl]-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methanone?
The InChIKey is WWLTUSIZXYJYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O/c1-14-10-19(24-21(22)23-14)16-7-5-8-17(11-16)20(27)25-12-18(13-25)26-9-4-3-6-15(26)2/h5,7-8,10-11,15,18H,3-4,6,9,12-13H2,1-2H3,(H2,22,23,24).
What are the key properties of [3-(2-amino-6-methylpyrimidin-4-yl)phenyl]-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methanone?
[3-(2-amino-6-methylpyrimidin-4-yl)phenyl]-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methanone has a molecular weight of 365.48 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-amino-6-methylpyrimidin-4-yl)phenyl]-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methanone is sourced from PubChem (CID 119067455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).