2-amino-4-[4-(1-methylpiperidine-3-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one

C15H24N6O2 — CID 136662369

IUPAC2-amino-4-[4-(1-methylpiperidine-3-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one
SMILESCN1CCCC(C(=O)N2CCN(c3cc(=O)[nH]c(N)n3)CC2)C1
InChIInChI=1S/C15H24N6O2/c1-19-4-2-3-11(10-19)14(23)21-7-5-20(6-8-21)12-9-13(22)18-15(16)17-12/h9,11H,2-8,10H2,1H3,(H3,16,17,18,22)
InChIKeyVXTXMDKUMSKEEK-UHFFFAOYSA-N
MW320.40 g/mol
LogP-0.66
Rot. Bonds2

About 2-amino-4-[4-(1-methylpiperidine-3-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one

2-amino-4-[4-(1-methylpiperidine-3-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one (PubChem CID 136662369) has the molecular formula C15H24N6O2 and a molecular weight of 320.40 g/mol. Its IUPAC name is 2-amino-4-[4-(1-methylpiperidine-3-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-[4-(1-methylpiperidine-3-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one
PubChem CID136662369
Molecular FormulaC15H24N6O2
Molecular Weight320.40 g/mol
Exact Mass320.20
IUPAC Name2-amino-4-[4-(1-methylpiperidine-3-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one
SMILESCN1CCCC(C(=O)N2CCN(c3cc(=O)[nH]c(N)n3)CC2)C1
InChIInChI=1S/C15H24N6O2/c1-19-4-2-3-11(10-19)14(23)21-7-5-20(6-8-21)12-9-13(22)18-15(16)17-12/h9,11H,2-8,10H2,1H3,(H3,16,17,18,22)
InChIKeyVXTXMDKUMSKEEK-UHFFFAOYSA-N
XLogP-0.66
TPSA98.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-amino-4-[4-(1-methylpiperidine-3-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-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

5-({3-[4-(benzyloxy)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-2-(2-thienyl)pyrazolo[1,5-d][1,2,4]triazin-4(5H)-one
CID 53010393
1-methyl-N-(4-methylphenyl)-5-[4-methyl-5-(pyrrolidin-1-ylcarbonyl)-1,3-thiazol-2-yl]-1H-pyrrole-3-sulfonamide
CID 53010395
N-isopropyl-2-{7-[(4-methylpiperidin-1-yl)sulfonyl]-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl}acetamide
CID 53010407
N-(2,2-difluoroethyl)-1-(1-methyl-6-oxopyrimidin-4-yl)piperidine-3-carboxamide
CID 177802488
2-amino-6-{4-[(1-isopropyl-4-piperidinyl)acetyl]-1-piperazinyl}-4(3H)-pyrimidinone
CID 136226567
1-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)-N-[2-(1-piperidinyl)ethyl]-3-piperidinecarboxamide
CID 53010408
(3R)-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]piperidine-3-carboxamide
CID 93061262
(3S)-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]piperidine-3-carboxamide
CID 93061263
(3S)-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]piperidine-3-carboxamide
CID 93070847
(3R)-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]piperidine-3-carboxamide
CID 93070848
(3R)-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-3-carboxamide
CID 93070851
(3S)-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-3-carboxamide
CID 93070852

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[4-(1-methylpiperidine-3-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-[4-(1-methylpiperidine-3-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one (CID 136662369) is 2-amino-4-[4-(1-methylpiperidine-3-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-[4-(1-methylpiperidine-3-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-[4-(1-methylpiperidine-3-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one is CN1CCCC(C(=O)N2CCN(c3cc(=O)[nH]c(N)n3)CC2)C1.
What is the InChIKey of 2-amino-4-[4-(1-methylpiperidine-3-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is VXTXMDKUMSKEEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6O2/c1-19-4-2-3-11(10-19)14(23)21-7-5-20(6-8-21)12-9-13(22)18-15(16)17-12/h9,11H,2-8,10H2,1H3,(H3,16,17,18,22).
What are the key properties of 2-amino-4-[4-(1-methylpiperidine-3-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one?
2-amino-4-[4-(1-methylpiperidine-3-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 320.40 g/mol, XLogP of -0.66, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[4-(1-methylpiperidine-3-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136662369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).