5-amino-1-pyrrolidin-2-ylpyrimidin-4-one

C8H12N4O — CID 115114296

IUPAC5-amino-1-pyrrolidin-2-ylpyrimidin-4-one
SMILESNc1cn(C2CCCN2)cnc1=O
InChIInChI=1S/C8H12N4O/c9-6-4-12(5-11-8(6)13)7-2-1-3-10-7/h4-5,7,10H,1-3,9H2
InChIKeyNTAVOLRHZPAPLV-UHFFFAOYSA-N
MW180.21 g/mol
LogP-0.29
Rot. Bonds1

About 5-amino-1-pyrrolidin-2-ylpyrimidin-4-one

5-amino-1-pyrrolidin-2-ylpyrimidin-4-one (PubChem CID 115114296) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is 5-amino-1-pyrrolidin-2-ylpyrimidin-4-one.

Molecular Properties

Compound Name5-amino-1-pyrrolidin-2-ylpyrimidin-4-one
PubChem CID115114296
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC Name5-amino-1-pyrrolidin-2-ylpyrimidin-4-one
SMILESNc1cn(C2CCCN2)cnc1=O
InChIInChI=1S/C8H12N4O/c9-6-4-12(5-11-8(6)13)7-2-1-3-10-7/h4-5,7,10H,1-3,9H2
InChIKeyNTAVOLRHZPAPLV-UHFFFAOYSA-N
XLogP-0.29
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-2-(butylamino)-1H-pyrimidin-6-one
CID 20276616
5-amino-2-pyrrolidin-1-yl-1H-pyrimidin-6-one
CID 20276682
N-(5-amino-6-oxo-1H-pyrimidin-2-yl)pyrrolidine-1-carboxamide
CID 20276708
5-amino-2-[2-(diethylamino)ethylamino]-1H-pyrimidin-6-one
CID 20570045
5-Amino-3-(2-pyrrolidin-1-ylethyl)pyrimidin-4-one
CID 138585379
5-amino-2-[1-(diethylamino)ethylamino]-1H-pyrimidin-6-one
CID 140333248
6-oxo-2-pyrrolidin-1-yl-1H-pyrimidine-4-carboxamide
CID 140906989
N-(6-oxo-1H-pyrimidin-5-yl)pyrrolidine-1-carbothioamide
CID 142789283
5-Amino-1-pyrrolidin-3-ylpyrimidin-4-one
CID 115114236
5-Amino-1-(1-methylpyrrolidin-3-yl)pyrimidin-4-one
CID 115114237
5-Amino-1-(pyrrolidin-3-ylmethyl)pyrimidin-4-one
CID 115114260
5-Amino-1-(1-methylpyrrolidin-2-yl)pyrimidin-4-one
CID 115114297

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-pyrrolidin-2-ylpyrimidin-4-one?
The IUPAC name of 5-amino-1-pyrrolidin-2-ylpyrimidin-4-one (CID 115114296) is 5-amino-1-pyrrolidin-2-ylpyrimidin-4-one.
What is the SMILES notation for 5-amino-1-pyrrolidin-2-ylpyrimidin-4-one?
The canonical SMILES for 5-amino-1-pyrrolidin-2-ylpyrimidin-4-one is Nc1cn(C2CCCN2)cnc1=O.
What is the InChIKey of 5-amino-1-pyrrolidin-2-ylpyrimidin-4-one?
The InChIKey is NTAVOLRHZPAPLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O/c9-6-4-12(5-11-8(6)13)7-2-1-3-10-7/h4-5,7,10H,1-3,9H2.
What are the key properties of 5-amino-1-pyrrolidin-2-ylpyrimidin-4-one?
5-amino-1-pyrrolidin-2-ylpyrimidin-4-one has a molecular weight of 180.21 g/mol, XLogP of -0.29, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-pyrrolidin-2-ylpyrimidin-4-one is sourced from PubChem (CID 115114296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).