[4-(2-amino-6-methylpyrimidin-4-yl)phenyl]-(2-pyridin-3-ylpiperidin-1-yl)methanone

C22H23N5O — CID 119061895

IUPAC[4-(2-amino-6-methylpyrimidin-4-yl)phenyl]-(2-pyridin-3-ylpiperidin-1-yl)methanone
SMILESCc1cc(-c2ccc(C(=O)N3CCCCC3c3cccnc3)cc2)nc(N)n1
InChIInChI=1S/C22H23N5O/c1-15-13-19(26-22(23)25-15)16-7-9-17(10-8-16)21(28)27-12-3-2-6-20(27)18-5-4-11-24-14-18/h4-5,7-11,13-14,20H,2-3,6,12H2,1H3,(H2,23,25,26)
InChIKeyFOMGRAQVWWCALP-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.80
Rot. Bonds3

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

[4-(2-amino-6-methylpyrimidin-4-yl)phenyl]-(2-pyridin-3-ylpiperidin-1-yl)methanone (PubChem CID 119061895) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is [4-(2-amino-6-methylpyrimidin-4-yl)phenyl]-(2-pyridin-3-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-(2-amino-6-methylpyrimidin-4-yl)phenyl]-(2-pyridin-3-ylpiperidin-1-yl)methanone
PubChem CID119061895
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC Name[4-(2-amino-6-methylpyrimidin-4-yl)phenyl]-(2-pyridin-3-ylpiperidin-1-yl)methanone
SMILESCc1cc(-c2ccc(C(=O)N3CCCCC3c3cccnc3)cc2)nc(N)n1
InChIInChI=1S/C22H23N5O/c1-15-13-19(26-22(23)25-15)16-7-9-17(10-8-16)21(28)27-12-3-2-6-20(27)18-5-4-11-24-14-18/h4-5,7-11,13-14,20H,2-3,6,12H2,1H3,(H2,23,25,26)
InChIKeyFOMGRAQVWWCALP-UHFFFAOYSA-N
XLogP3.80
TPSA85.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-(2-amino-6-methylpyrimidin-4-yl)phenyl]-(2-pyridin-3-ylpiperidin-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

[4-(2-amino-6-methylpyrimidin-4-yl)phenyl]-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 119069341
[4-(5-hydroxy-6-methyl-2-pyridinyl)phenyl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 163306466
(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[(2S)-2-pyridin-3-ylpiperidin-1-yl]methanone
CID 7640907
(2-amino-1,3-benzothiazol-5-yl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 155494071
[4-(aminomethyl)phenyl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 43575796
[(2S)-2-pyridin-3-ylpiperidin-1-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone
CID 97193301
(3,5-dichloro-4-methylphenyl)-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]methanone
CID 97207892
(3,4-dichlorophenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 110867001
[4-(chloromethyl)phenyl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 43578920
(3-iodophenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 60697684
2-pyridin-3-ylpiperidine-1-carboxylic acid
CID 67067085
(4-nitrophenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 10913511

Frequently Asked Questions

What is the IUPAC name of [4-(2-amino-6-methylpyrimidin-4-yl)phenyl]-(2-pyridin-3-ylpiperidin-1-yl)methanone?
The IUPAC name of [4-(2-amino-6-methylpyrimidin-4-yl)phenyl]-(2-pyridin-3-ylpiperidin-1-yl)methanone (CID 119061895) is [4-(2-amino-6-methylpyrimidin-4-yl)phenyl]-(2-pyridin-3-ylpiperidin-1-yl)methanone.
What is the SMILES notation for [4-(2-amino-6-methylpyrimidin-4-yl)phenyl]-(2-pyridin-3-ylpiperidin-1-yl)methanone?
The canonical SMILES for [4-(2-amino-6-methylpyrimidin-4-yl)phenyl]-(2-pyridin-3-ylpiperidin-1-yl)methanone is Cc1cc(-c2ccc(C(=O)N3CCCCC3c3cccnc3)cc2)nc(N)n1.
What is the InChIKey of [4-(2-amino-6-methylpyrimidin-4-yl)phenyl]-(2-pyridin-3-ylpiperidin-1-yl)methanone?
The InChIKey is FOMGRAQVWWCALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c1-15-13-19(26-22(23)25-15)16-7-9-17(10-8-16)21(28)27-12-3-2-6-20(27)18-5-4-11-24-14-18/h4-5,7-11,13-14,20H,2-3,6,12H2,1H3,(H2,23,25,26).
What are the key properties of [4-(2-amino-6-methylpyrimidin-4-yl)phenyl]-(2-pyridin-3-ylpiperidin-1-yl)methanone?
[4-(2-amino-6-methylpyrimidin-4-yl)phenyl]-(2-pyridin-3-ylpiperidin-1-yl)methanone has a molecular weight of 373.46 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-amino-6-methylpyrimidin-4-yl)phenyl]-(2-pyridin-3-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 119061895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).