3-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-1H-pyrazin-2-one

C14H18N6O — CID 126887844

IUPAC3-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-1H-pyrazin-2-one
SMILESCc1cc(NC2CCN(c3ncc[nH]c3=O)CC2)ncn1
InChIInChI=1S/C14H18N6O/c1-10-8-12(18-9-17-10)19-11-2-6-20(7-3-11)13-14(21)16-5-4-15-13/h4-5,8-9,11H,2-3,6-7H2,1H3,(H,16,21)(H,17,18,19)
InChIKeyUBEZDIWVCOOWIQ-UHFFFAOYSA-N
MW286.34 g/mol
LogP0.95
Rot. Bonds3

About 3-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-1H-pyrazin-2-one

3-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-1H-pyrazin-2-one (PubChem CID 126887844) has the molecular formula C14H18N6O and a molecular weight of 286.34 g/mol. Its IUPAC name is 3-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-1H-pyrazin-2-one
PubChem CID126887844
Molecular FormulaC14H18N6O
Molecular Weight286.34 g/mol
Exact Mass286.15
IUPAC Name3-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-1H-pyrazin-2-one
SMILESCc1cc(NC2CCN(c3ncc[nH]c3=O)CC2)ncn1
InChIInChI=1S/C14H18N6O/c1-10-8-12(18-9-17-10)19-11-2-6-20(7-3-11)13-14(21)16-5-4-15-13/h4-5,8-9,11H,2-3,6-7H2,1H3,(H,16,21)(H,17,18,19)
InChIKeyUBEZDIWVCOOWIQ-UHFFFAOYSA-N
XLogP0.95
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-1H-pyrazin-2-one 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

6-methyl-N-[1-(3-methylpyrazin-2-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126887665
3-[4-[(6-methylpyrimidin-4-yl)amino]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 126887533
3-(4-methylpiperidin-1-yl)-1H-pyrazin-2-one
CID 115650167
1-[2-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]ethyl]pyrimidin-2-one
CID 126887717
3-(4-ethoxypiperidin-1-yl)-1H-pyrazin-2-one
CID 115657150
N-[1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]-6-methylpyrimidin-4-amine
CID 126887880
6-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)piperidin-4-yl]pyrimidin-4-amine
CID 165432269
N-[1-(5,6-dimethylpyrrolo[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-6-methylpyrimidin-4-amine
CID 126887890
N-cyclobutyl-6-methylpyrimidin-4-amine
CID 62416944
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-6-methylpyrimidin-4-amine
CID 133336237
1H-imidazol-5-yl-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone
CID 126887552
N-[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]-6-methylpyrimidin-4-amine
CID 126887875

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-1H-pyrazin-2-one?
The IUPAC name of 3-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-1H-pyrazin-2-one (CID 126887844) is 3-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-1H-pyrazin-2-one.
What is the SMILES notation for 3-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-1H-pyrazin-2-one?
The canonical SMILES for 3-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-1H-pyrazin-2-one is Cc1cc(NC2CCN(c3ncc[nH]c3=O)CC2)ncn1.
What is the InChIKey of 3-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-1H-pyrazin-2-one?
The InChIKey is UBEZDIWVCOOWIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O/c1-10-8-12(18-9-17-10)19-11-2-6-20(7-3-11)13-14(21)16-5-4-15-13/h4-5,8-9,11H,2-3,6-7H2,1H3,(H,16,21)(H,17,18,19).
What are the key properties of 3-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-1H-pyrazin-2-one?
3-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-1H-pyrazin-2-one has a molecular weight of 286.34 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-1H-pyrazin-2-one is sourced from PubChem (CID 126887844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).