4-(3-aminopyrrolidin-1-yl)-1H-pyrimidin-6-one

C8H12N4O — CID 136562357

IUPAC4-(3-aminopyrrolidin-1-yl)-1H-pyrimidin-6-one
SMILESNC1CCN(c2cc(=O)[nH]cn2)C1
InChIInChI=1S/C8H12N4O/c9-6-1-2-12(4-6)7-3-8(13)11-5-10-7/h3,5-6H,1-2,4,9H2,(H,10,11,13)
InChIKeyIGVQUCRVYSZDQL-UHFFFAOYSA-N
MW180.21 g/mol
LogP-0.69
Rot. Bonds1

About 4-(3-aminopyrrolidin-1-yl)-1H-pyrimidin-6-one

4-(3-aminopyrrolidin-1-yl)-1H-pyrimidin-6-one (PubChem CID 136562357) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is 4-(3-aminopyrrolidin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3-aminopyrrolidin-1-yl)-1H-pyrimidin-6-one
PubChem CID136562357
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC Name4-(3-aminopyrrolidin-1-yl)-1H-pyrimidin-6-one
SMILESNC1CCN(c2cc(=O)[nH]cn2)C1
InChIInChI=1S/C8H12N4O/c9-6-1-2-12(4-6)7-3-8(13)11-5-10-7/h3,5-6H,1-2,4,9H2,(H,10,11,13)
InChIKeyIGVQUCRVYSZDQL-UHFFFAOYSA-N
XLogP-0.69
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopyrrolidin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 4-(3-aminopyrrolidin-1-yl)-1H-pyrimidin-6-one (CID 136562357) is 4-(3-aminopyrrolidin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3-aminopyrrolidin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3-aminopyrrolidin-1-yl)-1H-pyrimidin-6-one is NC1CCN(c2cc(=O)[nH]cn2)C1.
What is the InChIKey of 4-(3-aminopyrrolidin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is IGVQUCRVYSZDQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O/c9-6-1-2-12(4-6)7-3-8(13)11-5-10-7/h3,5-6H,1-2,4,9H2,(H,10,11,13).
What are the key properties of 4-(3-aminopyrrolidin-1-yl)-1H-pyrimidin-6-one?
4-(3-aminopyrrolidin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 180.21 g/mol, XLogP of -0.69, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopyrrolidin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136562357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).