[3-[(2-amino-6-ethyl-5-methylpyrimidin-4-yl)amino]piperidin-1-yl]-phenylmethanone

C19H25N5O — CID 72870613

IUPAC[3-[(2-amino-6-ethyl-5-methylpyrimidin-4-yl)amino]piperidin-1-yl]-phenylmethanone
SMILESCCc1nc(N)nc(NC2CCCN(C(=O)c3ccccc3)C2)c1C
InChIInChI=1S/C19H25N5O/c1-3-16-13(2)17(23-19(20)22-16)21-15-10-7-11-24(12-15)18(25)14-8-5-4-6-9-14/h4-6,8-9,15H,3,7,10-12H2,1-2H3,(H3,20,21,22,23)
InChIKeyBYOLPJHVYRFTAR-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.65
Rot. Bonds4

About [3-[(2-amino-6-ethyl-5-methylpyrimidin-4-yl)amino]piperidin-1-yl]-phenylmethanone

[3-[(2-amino-6-ethyl-5-methylpyrimidin-4-yl)amino]piperidin-1-yl]-phenylmethanone (PubChem CID 72870613) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is [3-[(2-amino-6-ethyl-5-methylpyrimidin-4-yl)amino]piperidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[3-[(2-amino-6-ethyl-5-methylpyrimidin-4-yl)amino]piperidin-1-yl]-phenylmethanone
PubChem CID72870613
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name[3-[(2-amino-6-ethyl-5-methylpyrimidin-4-yl)amino]piperidin-1-yl]-phenylmethanone
SMILESCCc1nc(N)nc(NC2CCCN(C(=O)c3ccccc3)C2)c1C
InChIInChI=1S/C19H25N5O/c1-3-16-13(2)17(23-19(20)22-16)21-15-10-7-11-24(12-15)18(25)14-8-5-4-6-9-14/h4-6,8-9,15H,3,7,10-12H2,1-2H3,(H3,20,21,22,23)
InChIKeyBYOLPJHVYRFTAR-UHFFFAOYSA-N
XLogP2.65
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [3-[(2-amino-6-ethyl-5-methylpyrimidin-4-yl)amino]piperidin-1-yl]-phenylmethanone 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

1-[(3S)-1-benzoylpiperidin-3-yl]-3-ethylurea
CID 95315387
N-[(3R)-1-(4-methylbenzoyl)piperidin-3-yl]benzamide
CID 59294620
[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-phenylmethanone
CID 25449307
phenyl-[(3S)-3-(thieno[2,3-d]pyrimidin-4-ylamino)piperidin-1-yl]methanone
CID 125444803
N-[(3S)-1-benzoylpiperidin-3-yl]-3,5-dimethylimidazole-4-carboxamide
CID 125166283
6-[[(3R)-1-benzoylpiperidin-3-yl]amino]-5-chloropyridine-3-carbonitrile
CID 96549568
N-[(3S)-1-benzoylpiperidin-3-yl]oxane-4-carboxamide
CID 95567400
tert-butyl N-(1-benzoylpiperidin-3-yl)carbamate
CID 60549057
1-[(3S)-1-benzoylpiperidin-3-yl]-3-pyridin-2-ylurea
CID 95151252
N-[(3S)-1-benzoylpiperidin-3-yl]-2-(1-hydroxycyclohexyl)acetamide
CID 95906190
4-(3-acetamidopiperidine-1-carbonyl)benzoic acid
CID 126774407
N-[(3R)-1-benzoylpiperidin-3-yl]-3,5-difluorobenzamide
CID 95276175

Frequently Asked Questions

What is the IUPAC name of [3-[(2-amino-6-ethyl-5-methylpyrimidin-4-yl)amino]piperidin-1-yl]-phenylmethanone?
The IUPAC name of [3-[(2-amino-6-ethyl-5-methylpyrimidin-4-yl)amino]piperidin-1-yl]-phenylmethanone (CID 72870613) is [3-[(2-amino-6-ethyl-5-methylpyrimidin-4-yl)amino]piperidin-1-yl]-phenylmethanone.
What is the SMILES notation for [3-[(2-amino-6-ethyl-5-methylpyrimidin-4-yl)amino]piperidin-1-yl]-phenylmethanone?
The canonical SMILES for [3-[(2-amino-6-ethyl-5-methylpyrimidin-4-yl)amino]piperidin-1-yl]-phenylmethanone is CCc1nc(N)nc(NC2CCCN(C(=O)c3ccccc3)C2)c1C.
What is the InChIKey of [3-[(2-amino-6-ethyl-5-methylpyrimidin-4-yl)amino]piperidin-1-yl]-phenylmethanone?
The InChIKey is BYOLPJHVYRFTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-3-16-13(2)17(23-19(20)22-16)21-15-10-7-11-24(12-15)18(25)14-8-5-4-6-9-14/h4-6,8-9,15H,3,7,10-12H2,1-2H3,(H3,20,21,22,23).
What are the key properties of [3-[(2-amino-6-ethyl-5-methylpyrimidin-4-yl)amino]piperidin-1-yl]-phenylmethanone?
[3-[(2-amino-6-ethyl-5-methylpyrimidin-4-yl)amino]piperidin-1-yl]-phenylmethanone has a molecular weight of 339.44 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-amino-6-ethyl-5-methylpyrimidin-4-yl)amino]piperidin-1-yl]-phenylmethanone is sourced from PubChem (CID 72870613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).