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

C13H16N6O — CID 136979374

IUPAC4-[4-(3-amino-2-pyridinyl)piperazin-1-yl]-1H-pyrimidin-6-one
SMILESNc1cccnc1N1CCN(c2cc(=O)[nH]cn2)CC1
InChIInChI=1S/C13H16N6O/c14-10-2-1-3-15-13(10)19-6-4-18(5-7-19)11-8-12(20)17-9-16-11/h1-3,8-9H,4-7,14H2,(H,16,17,20)
InChIKeyPHWUHDUOYNMOCG-UHFFFAOYSA-N
MW272.31 g/mol
LogP0.07
Rot. Bonds2

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

4-[4-(3-amino-2-pyridinyl)piperazin-1-yl]-1H-pyrimidin-6-one (PubChem CID 136979374) has the molecular formula C13H16N6O and a molecular weight of 272.31 g/mol. Its IUPAC name is 4-[4-(3-amino-2-pyridinyl)piperazin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[4-(3-amino-2-pyridinyl)piperazin-1-yl]-1H-pyrimidin-6-one
PubChem CID136979374
Molecular FormulaC13H16N6O
Molecular Weight272.31 g/mol
Exact Mass272.14
IUPAC Name4-[4-(3-amino-2-pyridinyl)piperazin-1-yl]-1H-pyrimidin-6-one
SMILESNc1cccnc1N1CCN(c2cc(=O)[nH]cn2)CC1
InChIInChI=1S/C13H16N6O/c14-10-2-1-3-15-13(10)19-6-4-18(5-7-19)11-8-12(20)17-9-16-11/h1-3,8-9H,4-7,14H2,(H,16,17,20)
InChIKeyPHWUHDUOYNMOCG-UHFFFAOYSA-N
XLogP0.07
TPSA91.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-amino-2-pyridinyl)piperazin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 4-[4-(3-amino-2-pyridinyl)piperazin-1-yl]-1H-pyrimidin-6-one (CID 136979374) is 4-[4-(3-amino-2-pyridinyl)piperazin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[4-(3-amino-2-pyridinyl)piperazin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[4-(3-amino-2-pyridinyl)piperazin-1-yl]-1H-pyrimidin-6-one is Nc1cccnc1N1CCN(c2cc(=O)[nH]cn2)CC1.
What is the InChIKey of 4-[4-(3-amino-2-pyridinyl)piperazin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is PHWUHDUOYNMOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O/c14-10-2-1-3-15-13(10)19-6-4-18(5-7-19)11-8-12(20)17-9-16-11/h1-3,8-9H,4-7,14H2,(H,16,17,20).
What are the key properties of 4-[4-(3-amino-2-pyridinyl)piperazin-1-yl]-1H-pyrimidin-6-one?
4-[4-(3-amino-2-pyridinyl)piperazin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 272.31 g/mol, XLogP of 0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-amino-2-pyridinyl)piperazin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136979374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).