5-amino-3-(2-pyrrolidin-1-ylethyl)pyrimidin-4-one

C10H16N4O — CID 138585379

IUPAC5-amino-3-(2-pyrrolidin-1-ylethyl)pyrimidin-4-one
SMILESNc1cncn(CCN2CCCC2)c1=O
InChIInChI=1S/C10H16N4O/c11-9-7-12-8-14(10(9)15)6-5-13-3-1-2-4-13/h7-8H,1-6,11H2
InChIKeyIFUJCFQFORQQKD-UHFFFAOYSA-N
MW208.26 g/mol
LogP-0.08
Rot. Bonds3

About 5-amino-3-(2-pyrrolidin-1-ylethyl)pyrimidin-4-one

5-amino-3-(2-pyrrolidin-1-ylethyl)pyrimidin-4-one (PubChem CID 138585379) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 5-amino-3-(2-pyrrolidin-1-ylethyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-amino-3-(2-pyrrolidin-1-ylethyl)pyrimidin-4-one
PubChem CID138585379
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name5-amino-3-(2-pyrrolidin-1-ylethyl)pyrimidin-4-one
SMILESNc1cncn(CCN2CCCC2)c1=O
InChIInChI=1S/C10H16N4O/c11-9-7-12-8-14(10(9)15)6-5-13-3-1-2-4-13/h7-8H,1-6,11H2
InChIKeyIFUJCFQFORQQKD-UHFFFAOYSA-N
XLogP-0.08
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(2-pyrrolidin-1-ylethyl)pyrimidin-4-one?
The IUPAC name of 5-amino-3-(2-pyrrolidin-1-ylethyl)pyrimidin-4-one (CID 138585379) is 5-amino-3-(2-pyrrolidin-1-ylethyl)pyrimidin-4-one.
What is the SMILES notation for 5-amino-3-(2-pyrrolidin-1-ylethyl)pyrimidin-4-one?
The canonical SMILES for 5-amino-3-(2-pyrrolidin-1-ylethyl)pyrimidin-4-one is Nc1cncn(CCN2CCCC2)c1=O.
What is the InChIKey of 5-amino-3-(2-pyrrolidin-1-ylethyl)pyrimidin-4-one?
The InChIKey is IFUJCFQFORQQKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c11-9-7-12-8-14(10(9)15)6-5-13-3-1-2-4-13/h7-8H,1-6,11H2.
What are the key properties of 5-amino-3-(2-pyrrolidin-1-ylethyl)pyrimidin-4-one?
5-amino-3-(2-pyrrolidin-1-ylethyl)pyrimidin-4-one has a molecular weight of 208.26 g/mol, XLogP of -0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(2-pyrrolidin-1-ylethyl)pyrimidin-4-one is sourced from PubChem (CID 138585379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).