5-amino-1-pyrrolidin-3-ylpyrimidin-4-one

C8H12N4O — CID 115114236

IUPAC5-amino-1-pyrrolidin-3-ylpyrimidin-4-one
SMILESNc1cn(C2CCNC2)cnc1=O
InChIInChI=1S/C8H12N4O/c9-7-4-12(5-11-8(7)13)6-1-2-10-3-6/h4-6,10H,1-3,9H2
InChIKeyGHVKBWWMKMUUDO-UHFFFAOYSA-N
MW180.21 g/mol
LogP-0.64
Rot. Bonds1

About 5-amino-1-pyrrolidin-3-ylpyrimidin-4-one

5-amino-1-pyrrolidin-3-ylpyrimidin-4-one (PubChem CID 115114236) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is 5-amino-1-pyrrolidin-3-ylpyrimidin-4-one.

Molecular Properties

Compound Name5-amino-1-pyrrolidin-3-ylpyrimidin-4-one
PubChem CID115114236
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC Name5-amino-1-pyrrolidin-3-ylpyrimidin-4-one
SMILESNc1cn(C2CCNC2)cnc1=O
InChIInChI=1S/C8H12N4O/c9-7-4-12(5-11-8(7)13)6-1-2-10-3-6/h4-6,10H,1-3,9H2
InChIKeyGHVKBWWMKMUUDO-UHFFFAOYSA-N
XLogP-0.64
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 ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-2-pyrrolidin-1-yl-1H-pyrimidin-6-one
CID 20276682
4-amino-5-pyrrolidin-1-yl-1H-pyrimidin-6-one
CID 136393187
5-Amino-3-(2-pyrrolidin-1-ylethyl)pyrimidin-4-one;hydrochloride
CID 138585378
5-Amino-3-(2-pyrrolidin-1-ylethyl)pyrimidin-4-one
CID 138585379
5-(3-aminopyrrolidine-1-carbonyl)-1H-pyrazin-2-one
CID 62067809
3-[(Pyrrolidin-2-yl)methyl]-3,4-dihydropyrimidin-4-one
CID 63769367
5-[(3S)-3-aminopyrrolidine-1-carbonyl]-1H-pyrazin-2-one
CID 94339919
5-[(3R)-3-aminopyrrolidine-1-carbonyl]-1H-pyrazin-2-one
CID 94339920
3-[[(2S)-pyrrolidin-2-yl]methyl]pyrimidin-4-one
CID 96672342
3-[[(2R)-pyrrolidin-2-yl]methyl]pyrimidin-4-one
CID 96672343
5-(Aminomethyl)-1-pyrrolidin-3-ylpyrimidin-4-one
CID 115114232
5-Amino-1-(1-methylpyrrolidin-3-yl)pyrimidin-4-one
CID 115114237

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-pyrrolidin-3-ylpyrimidin-4-one?
The IUPAC name of 5-amino-1-pyrrolidin-3-ylpyrimidin-4-one (CID 115114236) is 5-amino-1-pyrrolidin-3-ylpyrimidin-4-one.
What is the SMILES notation for 5-amino-1-pyrrolidin-3-ylpyrimidin-4-one?
The canonical SMILES for 5-amino-1-pyrrolidin-3-ylpyrimidin-4-one is Nc1cn(C2CCNC2)cnc1=O.
What is the InChIKey of 5-amino-1-pyrrolidin-3-ylpyrimidin-4-one?
The InChIKey is GHVKBWWMKMUUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O/c9-7-4-12(5-11-8(7)13)6-1-2-10-3-6/h4-6,10H,1-3,9H2.
What are the key properties of 5-amino-1-pyrrolidin-3-ylpyrimidin-4-one?
5-amino-1-pyrrolidin-3-ylpyrimidin-4-one has a molecular weight of 180.21 g/mol, XLogP of -0.64, 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-3-ylpyrimidin-4-one is sourced from PubChem (CID 115114236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).