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

C10H17ClN4O — CID 138585378

IUPAC5-amino-3-(2-pyrrolidin-1-ylethyl)pyrimidin-4-one;hydrochloride
SMILESCl.Nc1cncn(CCN2CCCC2)c1=O
InChIInChI=1S/C10H16N4O.ClH/c11-9-7-12-8-14(10(9)15)6-5-13-3-1-2-4-13;/h7-8H,1-6,11H2;1H
InChIKeyGJUSOIWKSOAKKX-UHFFFAOYSA-N
MW244.73 g/mol
LogP0.34
Rot. Bonds3

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

5-amino-3-(2-pyrrolidin-1-ylethyl)pyrimidin-4-one;hydrochloride (PubChem CID 138585378) has the molecular formula C10H17ClN4O and a molecular weight of 244.73 g/mol. Its IUPAC name is 5-amino-3-(2-pyrrolidin-1-ylethyl)pyrimidin-4-one;hydrochloride.

Molecular Properties

Compound Name5-amino-3-(2-pyrrolidin-1-ylethyl)pyrimidin-4-one;hydrochloride
PubChem CID138585378
Molecular FormulaC10H17ClN4O
Molecular Weight244.73 g/mol
Exact Mass244.11
IUPAC Name5-amino-3-(2-pyrrolidin-1-ylethyl)pyrimidin-4-one;hydrochloride
SMILESCl.Nc1cncn(CCN2CCCC2)c1=O
InChIInChI=1S/C10H16N4O.ClH/c11-9-7-12-8-14(10(9)15)6-5-13-3-1-2-4-13;/h7-8H,1-6,11H2;1H
InChIKeyGJUSOIWKSOAKKX-UHFFFAOYSA-N
XLogP0.34
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.73
LogP ≤ 50.34
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;hydrochloride?
The IUPAC name of 5-amino-3-(2-pyrrolidin-1-ylethyl)pyrimidin-4-one;hydrochloride (CID 138585378) is 5-amino-3-(2-pyrrolidin-1-ylethyl)pyrimidin-4-one;hydrochloride.
What is the SMILES notation for 5-amino-3-(2-pyrrolidin-1-ylethyl)pyrimidin-4-one;hydrochloride?
The canonical SMILES for 5-amino-3-(2-pyrrolidin-1-ylethyl)pyrimidin-4-one;hydrochloride is Cl.Nc1cncn(CCN2CCCC2)c1=O.
What is the InChIKey of 5-amino-3-(2-pyrrolidin-1-ylethyl)pyrimidin-4-one;hydrochloride?
The InChIKey is GJUSOIWKSOAKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O.ClH/c11-9-7-12-8-14(10(9)15)6-5-13-3-1-2-4-13;/h7-8H,1-6,11H2;1H.
What are the key properties of 5-amino-3-(2-pyrrolidin-1-ylethyl)pyrimidin-4-one;hydrochloride?
5-amino-3-(2-pyrrolidin-1-ylethyl)pyrimidin-4-one;hydrochloride has a molecular weight of 244.73 g/mol, XLogP of 0.34, 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;hydrochloride is sourced from PubChem (CID 138585378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).