4-amino-6-(1H-pyrrol-2-yl)-1H-pyrimidin-2-one

C8H8N4O — CID 175072034

IUPAC4-amino-6-(1H-pyrrol-2-yl)-1H-pyrimidin-2-one
SMILESNc1cc(-c2ccc[nH]2)[nH]c(=O)n1
InChIInChI=1S/C8H8N4O/c9-7-4-6(11-8(13)12-7)5-2-1-3-10-5/h1-4,10H,(H3,9,11,12,13)
InChIKeyQLGMSRXVBRFEJK-UHFFFAOYSA-N
MW176.18 g/mol
LogP0.35
Rot. Bonds1

About 4-amino-6-(1H-pyrrol-2-yl)-1H-pyrimidin-2-one

4-amino-6-(1H-pyrrol-2-yl)-1H-pyrimidin-2-one (PubChem CID 175072034) has the molecular formula C8H8N4O and a molecular weight of 176.18 g/mol. Its IUPAC name is 4-amino-6-(1H-pyrrol-2-yl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-6-(1H-pyrrol-2-yl)-1H-pyrimidin-2-one
PubChem CID175072034
Molecular FormulaC8H8N4O
Molecular Weight176.18 g/mol
Exact Mass176.07
IUPAC Name4-amino-6-(1H-pyrrol-2-yl)-1H-pyrimidin-2-one
SMILESNc1cc(-c2ccc[nH]2)[nH]c(=O)n1
InChIInChI=1S/C8H8N4O/c9-7-4-6(11-8(13)12-7)5-2-1-3-10-5/h1-4,10H,(H3,9,11,12,13)
InChIKeyQLGMSRXVBRFEJK-UHFFFAOYSA-N
XLogP0.35
TPSA87.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.18
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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[2-methyl-5-(1H-pyrrol-2-yl)-1H-pyrrol-3-yl]methanamine
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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-(1H-pyrrol-2-yl)-1H-pyrimidin-2-one?
The IUPAC name of 4-amino-6-(1H-pyrrol-2-yl)-1H-pyrimidin-2-one (CID 175072034) is 4-amino-6-(1H-pyrrol-2-yl)-1H-pyrimidin-2-one.
What is the SMILES notation for 4-amino-6-(1H-pyrrol-2-yl)-1H-pyrimidin-2-one?
The canonical SMILES for 4-amino-6-(1H-pyrrol-2-yl)-1H-pyrimidin-2-one is Nc1cc(-c2ccc[nH]2)[nH]c(=O)n1.
What is the InChIKey of 4-amino-6-(1H-pyrrol-2-yl)-1H-pyrimidin-2-one?
The InChIKey is QLGMSRXVBRFEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O/c9-7-4-6(11-8(13)12-7)5-2-1-3-10-5/h1-4,10H,(H3,9,11,12,13).
What are the key properties of 4-amino-6-(1H-pyrrol-2-yl)-1H-pyrimidin-2-one?
4-amino-6-(1H-pyrrol-2-yl)-1H-pyrimidin-2-one has a molecular weight of 176.18 g/mol, XLogP of 0.35, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-(1H-pyrrol-2-yl)-1H-pyrimidin-2-one is sourced from PubChem (CID 175072034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).