5-amino-1-(1-methylpyrrolidin-2-yl)pyrimidin-4-one

C9H14N4O — CID 115114297

IUPAC5-amino-1-(1-methylpyrrolidin-2-yl)pyrimidin-4-one
SMILESCN1CCCC1n1cnc(=O)c(N)c1
InChIInChI=1S/C9H14N4O/c1-12-4-2-3-8(12)13-5-7(10)9(14)11-6-13/h5-6,8H,2-4,10H2,1H3
InChIKeyKYCCTAONBTTYQM-UHFFFAOYSA-N
MW194.24 g/mol
LogP0.05
Rot. Bonds1

About 5-amino-1-(1-methylpyrrolidin-2-yl)pyrimidin-4-one

5-amino-1-(1-methylpyrrolidin-2-yl)pyrimidin-4-one (PubChem CID 115114297) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 5-amino-1-(1-methylpyrrolidin-2-yl)pyrimidin-4-one.

Molecular Properties

Compound Name5-amino-1-(1-methylpyrrolidin-2-yl)pyrimidin-4-one
PubChem CID115114297
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name5-amino-1-(1-methylpyrrolidin-2-yl)pyrimidin-4-one
SMILESCN1CCCC1n1cnc(=O)c(N)c1
InChIInChI=1S/C9H14N4O/c1-12-4-2-3-8(12)13-5-7(10)9(14)11-6-13/h5-6,8H,2-4,10H2,1H3
InChIKeyKYCCTAONBTTYQM-UHFFFAOYSA-N
XLogP0.05
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(1-methylpyrrolidin-2-yl)pyrimidin-4-one?
The IUPAC name of 5-amino-1-(1-methylpyrrolidin-2-yl)pyrimidin-4-one (CID 115114297) is 5-amino-1-(1-methylpyrrolidin-2-yl)pyrimidin-4-one.
What is the SMILES notation for 5-amino-1-(1-methylpyrrolidin-2-yl)pyrimidin-4-one?
The canonical SMILES for 5-amino-1-(1-methylpyrrolidin-2-yl)pyrimidin-4-one is CN1CCCC1n1cnc(=O)c(N)c1.
What is the InChIKey of 5-amino-1-(1-methylpyrrolidin-2-yl)pyrimidin-4-one?
The InChIKey is KYCCTAONBTTYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-12-4-2-3-8(12)13-5-7(10)9(14)11-6-13/h5-6,8H,2-4,10H2,1H3.
What are the key properties of 5-amino-1-(1-methylpyrrolidin-2-yl)pyrimidin-4-one?
5-amino-1-(1-methylpyrrolidin-2-yl)pyrimidin-4-one has a molecular weight of 194.24 g/mol, XLogP of 0.05, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(1-methylpyrrolidin-2-yl)pyrimidin-4-one is sourced from PubChem (CID 115114297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).