5-chloro-4-(2-ethylpyrrolidin-1-yl)-1H-pyrimidin-6-one

C10H14ClN3O — CID 136970375

IUPAC5-chloro-4-(2-ethylpyrrolidin-1-yl)-1H-pyrimidin-6-one
SMILESCCC1CCCN1c1nc[nH]c(=O)c1Cl
InChIInChI=1S/C10H14ClN3O/c1-2-7-4-3-5-14(7)9-8(11)10(15)13-6-12-9/h6-7H,2-5H2,1H3,(H,12,13,15)
InChIKeyLITJPPGKDIGYPL-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.80
Rot. Bonds2

About 5-chloro-4-(2-ethylpyrrolidin-1-yl)-1H-pyrimidin-6-one

5-chloro-4-(2-ethylpyrrolidin-1-yl)-1H-pyrimidin-6-one (PubChem CID 136970375) has the molecular formula C10H14ClN3O and a molecular weight of 227.69 g/mol. Its IUPAC name is 5-chloro-4-(2-ethylpyrrolidin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-(2-ethylpyrrolidin-1-yl)-1H-pyrimidin-6-one
PubChem CID136970375
Molecular FormulaC10H14ClN3O
Molecular Weight227.69 g/mol
Exact Mass227.08
IUPAC Name5-chloro-4-(2-ethylpyrrolidin-1-yl)-1H-pyrimidin-6-one
SMILESCCC1CCCN1c1nc[nH]c(=O)c1Cl
InChIInChI=1S/C10H14ClN3O/c1-2-7-4-3-5-14(7)9-8(11)10(15)13-6-12-9/h6-7H,2-5H2,1H3,(H,12,13,15)
InChIKeyLITJPPGKDIGYPL-UHFFFAOYSA-N
XLogP1.80
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(2-ethylpyrrolidin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-(2-ethylpyrrolidin-1-yl)-1H-pyrimidin-6-one (CID 136970375) is 5-chloro-4-(2-ethylpyrrolidin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-(2-ethylpyrrolidin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-(2-ethylpyrrolidin-1-yl)-1H-pyrimidin-6-one is CCC1CCCN1c1nc[nH]c(=O)c1Cl.
What is the InChIKey of 5-chloro-4-(2-ethylpyrrolidin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is LITJPPGKDIGYPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O/c1-2-7-4-3-5-14(7)9-8(11)10(15)13-6-12-9/h6-7H,2-5H2,1H3,(H,12,13,15).
What are the key properties of 5-chloro-4-(2-ethylpyrrolidin-1-yl)-1H-pyrimidin-6-one?
5-chloro-4-(2-ethylpyrrolidin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 227.69 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(2-ethylpyrrolidin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136970375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).