5-amino-6-chloro-3-(2-pyrrolidin-1-ylethyl)pyrimidin-4-one

C10H15ClN4O — CID 114582696

IUPAC5-amino-6-chloro-3-(2-pyrrolidin-1-ylethyl)pyrimidin-4-one
SMILESNc1c(Cl)ncn(CCN2CCCC2)c1=O
InChIInChI=1S/C10H15ClN4O/c11-9-8(12)10(16)15(7-13-9)6-5-14-3-1-2-4-14/h7H,1-6,12H2
InChIKeyPUIZYNMBGFYCCU-UHFFFAOYSA-N
MW242.71 g/mol
LogP0.57
Rot. Bonds3

About 5-amino-6-chloro-3-(2-pyrrolidin-1-ylethyl)pyrimidin-4-one

5-amino-6-chloro-3-(2-pyrrolidin-1-ylethyl)pyrimidin-4-one (PubChem CID 114582696) has the molecular formula C10H15ClN4O and a molecular weight of 242.71 g/mol. Its IUPAC name is 5-amino-6-chloro-3-(2-pyrrolidin-1-ylethyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-amino-6-chloro-3-(2-pyrrolidin-1-ylethyl)pyrimidin-4-one
PubChem CID114582696
Molecular FormulaC10H15ClN4O
Molecular Weight242.71 g/mol
Exact Mass242.09
IUPAC Name5-amino-6-chloro-3-(2-pyrrolidin-1-ylethyl)pyrimidin-4-one
SMILESNc1c(Cl)ncn(CCN2CCCC2)c1=O
InChIInChI=1S/C10H15ClN4O/c11-9-8(12)10(16)15(7-13-9)6-5-14-3-1-2-4-14/h7H,1-6,12H2
InChIKeyPUIZYNMBGFYCCU-UHFFFAOYSA-N
XLogP0.57
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-6-chloro-3-(2-pyrrolidin-1-ylethyl)pyrimidin-4-one?
The IUPAC name of 5-amino-6-chloro-3-(2-pyrrolidin-1-ylethyl)pyrimidin-4-one (CID 114582696) is 5-amino-6-chloro-3-(2-pyrrolidin-1-ylethyl)pyrimidin-4-one.
What is the SMILES notation for 5-amino-6-chloro-3-(2-pyrrolidin-1-ylethyl)pyrimidin-4-one?
The canonical SMILES for 5-amino-6-chloro-3-(2-pyrrolidin-1-ylethyl)pyrimidin-4-one is Nc1c(Cl)ncn(CCN2CCCC2)c1=O.
What is the InChIKey of 5-amino-6-chloro-3-(2-pyrrolidin-1-ylethyl)pyrimidin-4-one?
The InChIKey is PUIZYNMBGFYCCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4O/c11-9-8(12)10(16)15(7-13-9)6-5-14-3-1-2-4-14/h7H,1-6,12H2.
What are the key properties of 5-amino-6-chloro-3-(2-pyrrolidin-1-ylethyl)pyrimidin-4-one?
5-amino-6-chloro-3-(2-pyrrolidin-1-ylethyl)pyrimidin-4-one has a molecular weight of 242.71 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-chloro-3-(2-pyrrolidin-1-ylethyl)pyrimidin-4-one is sourced from PubChem (CID 114582696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).