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

C13H17N7O — CID 136979394

IUPAC5-amino-4-[4-(3-amino-4-pyridinyl)piperazin-1-yl]-1H-pyrimidin-6-one
SMILESNc1cnccc1N1CCN(c2nc[nH]c(=O)c2N)CC1
InChIInChI=1S/C13H17N7O/c14-9-7-16-2-1-10(9)19-3-5-20(6-4-19)12-11(15)13(21)18-8-17-12/h1-2,7-8H,3-6,14-15H2,(H,17,18,21)
InChIKeyLYRLOUVNOJVZCH-UHFFFAOYSA-N
MW287.33 g/mol
LogP-0.34
Rot. Bonds2

About 5-amino-4-[4-(3-amino-4-pyridinyl)piperazin-1-yl]-1H-pyrimidin-6-one

5-amino-4-[4-(3-amino-4-pyridinyl)piperazin-1-yl]-1H-pyrimidin-6-one (PubChem CID 136979394) has the molecular formula C13H17N7O and a molecular weight of 287.33 g/mol. Its IUPAC name is 5-amino-4-[4-(3-amino-4-pyridinyl)piperazin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[4-(3-amino-4-pyridinyl)piperazin-1-yl]-1H-pyrimidin-6-one
PubChem CID136979394
Molecular FormulaC13H17N7O
Molecular Weight287.33 g/mol
Exact Mass287.15
IUPAC Name5-amino-4-[4-(3-amino-4-pyridinyl)piperazin-1-yl]-1H-pyrimidin-6-one
SMILESNc1cnccc1N1CCN(c2nc[nH]c(=O)c2N)CC1
InChIInChI=1S/C13H17N7O/c14-9-7-16-2-1-10(9)19-3-5-20(6-4-19)12-11(15)13(21)18-8-17-12/h1-2,7-8H,3-6,14-15H2,(H,17,18,21)
InChIKeyLYRLOUVNOJVZCH-UHFFFAOYSA-N
XLogP-0.34
TPSA117.16 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[4-(3-amino-4-pyridinyl)piperazin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[4-(3-amino-4-pyridinyl)piperazin-1-yl]-1H-pyrimidin-6-one (CID 136979394) is 5-amino-4-[4-(3-amino-4-pyridinyl)piperazin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[4-(3-amino-4-pyridinyl)piperazin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[4-(3-amino-4-pyridinyl)piperazin-1-yl]-1H-pyrimidin-6-one is Nc1cnccc1N1CCN(c2nc[nH]c(=O)c2N)CC1.
What is the InChIKey of 5-amino-4-[4-(3-amino-4-pyridinyl)piperazin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is LYRLOUVNOJVZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N7O/c14-9-7-16-2-1-10(9)19-3-5-20(6-4-19)12-11(15)13(21)18-8-17-12/h1-2,7-8H,3-6,14-15H2,(H,17,18,21).
What are the key properties of 5-amino-4-[4-(3-amino-4-pyridinyl)piperazin-1-yl]-1H-pyrimidin-6-one?
5-amino-4-[4-(3-amino-4-pyridinyl)piperazin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 287.33 g/mol, XLogP of -0.34, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[4-(3-amino-4-pyridinyl)piperazin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136979394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).