(2-amino-4-phenylpyrimidin-5-yl)-(4-pyridin-4-ylpiperidin-1-yl)methanone

C21H21N5O — CID 70758350

IUPAC(2-amino-4-phenylpyrimidin-5-yl)-(4-pyridin-4-ylpiperidin-1-yl)methanone
SMILESNc1ncc(C(=O)N2CCC(c3ccncc3)CC2)c(-c2ccccc2)n1
InChIInChI=1S/C21H21N5O/c22-21-24-14-18(19(25-21)17-4-2-1-3-5-17)20(27)26-12-8-16(9-13-26)15-6-10-23-11-7-15/h1-7,10-11,14,16H,8-9,12-13H2,(H2,22,24,25)
InChIKeyZEUGZRKDLCVYEH-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.14
Rot. Bonds3

About (2-amino-4-phenylpyrimidin-5-yl)-(4-pyridin-4-ylpiperidin-1-yl)methanone

(2-amino-4-phenylpyrimidin-5-yl)-(4-pyridin-4-ylpiperidin-1-yl)methanone (PubChem CID 70758350) has the molecular formula C21H21N5O and a molecular weight of 359.43 g/mol. Its IUPAC name is (2-amino-4-phenylpyrimidin-5-yl)-(4-pyridin-4-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-amino-4-phenylpyrimidin-5-yl)-(4-pyridin-4-ylpiperidin-1-yl)methanone
PubChem CID70758350
Molecular FormulaC21H21N5O
Molecular Weight359.43 g/mol
Exact Mass359.17
IUPAC Name(2-amino-4-phenylpyrimidin-5-yl)-(4-pyridin-4-ylpiperidin-1-yl)methanone
SMILESNc1ncc(C(=O)N2CCC(c3ccncc3)CC2)c(-c2ccccc2)n1
InChIInChI=1S/C21H21N5O/c22-21-24-14-18(19(25-21)17-4-2-1-3-5-17)20(27)26-12-8-16(9-13-26)15-6-10-23-11-7-15/h1-7,10-11,14,16H,8-9,12-13H2,(H2,22,24,25)
InChIKeyZEUGZRKDLCVYEH-UHFFFAOYSA-N
XLogP3.14
TPSA85.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2-amino-4-phenylpyrimidin-5-yl)-(4-pyridin-4-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

(2-amino-4-phenylpyrimidin-5-yl)-(4-piperidin-4-ylpiperidin-1-yl)methanone
CID 146044137
(2-amino-4-phenylpyrimidin-5-yl)-[2-(cyclohexylmethyl)morpholin-4-yl]methanone
CID 56873611
(2-amino-4-phenylpyrimidin-5-yl)-[(3S)-3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]methanone
CID 95869933
(2-amino-4-phenylpyrimidin-5-yl)-(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)methanone
CID 138379054
[(3aR,6aS)-3a-(hydroxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(2-amino-4-phenylpyrimidin-5-yl)methanone
CID 163317399
(2-amino-4-phenylpyrimidin-5-yl)-[(3R,4R)-3-ethoxy-4-hydroxypyrrolidin-1-yl]methanone
CID 133266763
(2-amino-4-phenylpyrimidin-5-yl)-[(1S,5S)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone
CID 133119367
methyl 2-amino-4-phenylpyrimidine-5-carboxylate
CID 15398885
(2-phenylphenyl)-(4-pyridin-3-ylpiperidin-1-yl)methanone
CID 126469063
6-(4-pyridin-4-ylpiperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 70721181
(5-amino-2-pyridinyl)-(4-phenylpiperidin-1-yl)methanone
CID 81310359
(2-amino-4-phenylpyrimidin-5-yl)-(6-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methanone
CID 163316767

Frequently Asked Questions

What is the IUPAC name of (2-amino-4-phenylpyrimidin-5-yl)-(4-pyridin-4-ylpiperidin-1-yl)methanone?
The IUPAC name of (2-amino-4-phenylpyrimidin-5-yl)-(4-pyridin-4-ylpiperidin-1-yl)methanone (CID 70758350) is (2-amino-4-phenylpyrimidin-5-yl)-(4-pyridin-4-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (2-amino-4-phenylpyrimidin-5-yl)-(4-pyridin-4-ylpiperidin-1-yl)methanone?
The canonical SMILES for (2-amino-4-phenylpyrimidin-5-yl)-(4-pyridin-4-ylpiperidin-1-yl)methanone is Nc1ncc(C(=O)N2CCC(c3ccncc3)CC2)c(-c2ccccc2)n1.
What is the InChIKey of (2-amino-4-phenylpyrimidin-5-yl)-(4-pyridin-4-ylpiperidin-1-yl)methanone?
The InChIKey is ZEUGZRKDLCVYEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O/c22-21-24-14-18(19(25-21)17-4-2-1-3-5-17)20(27)26-12-8-16(9-13-26)15-6-10-23-11-7-15/h1-7,10-11,14,16H,8-9,12-13H2,(H2,22,24,25).
What are the key properties of (2-amino-4-phenylpyrimidin-5-yl)-(4-pyridin-4-ylpiperidin-1-yl)methanone?
(2-amino-4-phenylpyrimidin-5-yl)-(4-pyridin-4-ylpiperidin-1-yl)methanone has a molecular weight of 359.43 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-phenylpyrimidin-5-yl)-(4-pyridin-4-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 70758350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).