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

C15H18N6O2 — CID 136662158

IUPAC2-amino-4-[4-(2-pyridin-3-ylacetyl)piperazin-1-yl]-1H-pyrimidin-6-one
SMILESNc1nc(N2CCN(C(=O)Cc3cccnc3)CC2)cc(=O)[nH]1
InChIInChI=1S/C15H18N6O2/c16-15-18-12(9-13(22)19-15)20-4-6-21(7-5-20)14(23)8-11-2-1-3-17-10-11/h1-3,9-10H,4-8H2,(H3,16,18,19,22)
InChIKeyJNQONZFBGURVDC-UHFFFAOYSA-N
MW314.35 g/mol
LogP-0.36
Rot. Bonds3

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

2-amino-4-[4-(2-pyridin-3-ylacetyl)piperazin-1-yl]-1H-pyrimidin-6-one (PubChem CID 136662158) has the molecular formula C15H18N6O2 and a molecular weight of 314.35 g/mol. Its IUPAC name is 2-amino-4-[4-(2-pyridin-3-ylacetyl)piperazin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-[4-(2-pyridin-3-ylacetyl)piperazin-1-yl]-1H-pyrimidin-6-one
PubChem CID136662158
Molecular FormulaC15H18N6O2
Molecular Weight314.35 g/mol
Exact Mass314.15
IUPAC Name2-amino-4-[4-(2-pyridin-3-ylacetyl)piperazin-1-yl]-1H-pyrimidin-6-one
SMILESNc1nc(N2CCN(C(=O)Cc3cccnc3)CC2)cc(=O)[nH]1
InChIInChI=1S/C15H18N6O2/c16-15-18-12(9-13(22)19-15)20-4-6-21(7-5-20)14(23)8-11-2-1-3-17-10-11/h1-3,9-10H,4-8H2,(H3,16,18,19,22)
InChIKeyJNQONZFBGURVDC-UHFFFAOYSA-N
XLogP-0.36
TPSA108.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-4-[4-[2-(1,3-dihydroisoindol-2-yl)acetyl]piperazin-1-yl]-1H-pyrimidin-6-one
CID 136948059
2-amino-4-[4-[3-(1-methylpyrrol-2-yl)propanoyl]piperazin-1-yl]-1H-pyrimidin-6-one
CID 136998462
2-amino-4-[4-[(1R,2R)-2-phenylcyclopropanecarbonyl]piperazin-1-yl]-1H-pyrimidin-6-one
CID 136988385
2-amino-4-[4-(quinoline-4-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 136664883
1-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]-2-pyridin-3-ylethanone
CID 70760220
1-pyridin-3-yl-4-(2-pyridin-3-ylacetyl)piperazin-2-one
CID 126851696
2-(3-methylphenyl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone
CID 13298536
1-(4-piperidin-4-ylpiperidin-1-yl)-2-pyridin-3-ylethanone
CID 155504559
2-methyl-4-[(2R)-4-(2-pyridin-3-ylacetyl)morpholin-2-yl]-1H-pyrimidin-6-one
CID 137169709
2-methyl-4-[(2S)-4-(2-pyridin-3-ylacetyl)morpholin-2-yl]-1H-pyrimidin-6-one
CID 137169708
2-amino-4-[4-(4-methylsulfanylbenzoyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 136665275
2-amino-4-[4-(2-methoxy-2-phenylacetyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 136662349

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[4-(2-pyridin-3-ylacetyl)piperazin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-[4-(2-pyridin-3-ylacetyl)piperazin-1-yl]-1H-pyrimidin-6-one (CID 136662158) is 2-amino-4-[4-(2-pyridin-3-ylacetyl)piperazin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-[4-(2-pyridin-3-ylacetyl)piperazin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-[4-(2-pyridin-3-ylacetyl)piperazin-1-yl]-1H-pyrimidin-6-one is Nc1nc(N2CCN(C(=O)Cc3cccnc3)CC2)cc(=O)[nH]1.
What is the InChIKey of 2-amino-4-[4-(2-pyridin-3-ylacetyl)piperazin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is JNQONZFBGURVDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O2/c16-15-18-12(9-13(22)19-15)20-4-6-21(7-5-20)14(23)8-11-2-1-3-17-10-11/h1-3,9-10H,4-8H2,(H3,16,18,19,22).
What are the key properties of 2-amino-4-[4-(2-pyridin-3-ylacetyl)piperazin-1-yl]-1H-pyrimidin-6-one?
2-amino-4-[4-(2-pyridin-3-ylacetyl)piperazin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 314.35 g/mol, XLogP of -0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[4-(2-pyridin-3-ylacetyl)piperazin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136662158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).