5,6-dichloro-3-(2-pyrrolidin-1-ylethyl)pyrimidin-4-one

C10H13Cl2N3O — CID 114583124

IUPAC5,6-dichloro-3-(2-pyrrolidin-1-ylethyl)pyrimidin-4-one
SMILESO=c1c(Cl)c(Cl)ncn1CCN1CCCC1
InChIInChI=1S/C10H13Cl2N3O/c11-8-9(12)13-7-15(10(8)16)6-5-14-3-1-2-4-14/h7H,1-6H2
InChIKeyZSCAJRFAZPVHPG-UHFFFAOYSA-N
MW262.14 g/mol
LogP1.65
Rot. Bonds3

About 5,6-dichloro-3-(2-pyrrolidin-1-ylethyl)pyrimidin-4-one

5,6-dichloro-3-(2-pyrrolidin-1-ylethyl)pyrimidin-4-one (PubChem CID 114583124) has the molecular formula C10H13Cl2N3O and a molecular weight of 262.14 g/mol. Its IUPAC name is 5,6-dichloro-3-(2-pyrrolidin-1-ylethyl)pyrimidin-4-one.

Molecular Properties

Compound Name5,6-dichloro-3-(2-pyrrolidin-1-ylethyl)pyrimidin-4-one
PubChem CID114583124
Molecular FormulaC10H13Cl2N3O
Molecular Weight262.14 g/mol
Exact Mass261.04
IUPAC Name5,6-dichloro-3-(2-pyrrolidin-1-ylethyl)pyrimidin-4-one
SMILESO=c1c(Cl)c(Cl)ncn1CCN1CCCC1
InChIInChI=1S/C10H13Cl2N3O/c11-8-9(12)13-7-15(10(8)16)6-5-14-3-1-2-4-14/h7H,1-6H2
InChIKeyZSCAJRFAZPVHPG-UHFFFAOYSA-N
XLogP1.65
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.14
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5,6-Dichloro-3-pentan-2-ylpyrimidin-4-one
CID 107885728
5,6-Dichloro-3-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrimidin-4-one
CID 113604336
6-Chloro-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one
CID 114582035
6-Chloro-3-(2-pyrrolidin-1-ylethyl)pyrimidin-4-one
CID 114582259
5-Amino-6-chloro-3-(2-pyrrolidin-1-ylethyl)pyrimidin-4-one
CID 114582696
5,6-Dichloro-3-(2-methylbutyl)pyrimidin-4-one
CID 114582889
5,6-Dichloro-3-pentylpyrimidin-4-one
CID 114582900
5,6-Dichloro-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one
CID 114582904
5,6-Dichloro-3-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-one
CID 114582935
5,6-Dichloro-3-[2-(diethylamino)ethyl]pyrimidin-4-one
CID 114582970
5,6-Dichloro-3-(2-piperidin-1-ylethyl)pyrimidin-4-one
CID 114582977
5,6-Dichloro-3-cyclopentylpyrimidin-4-one
CID 114582987

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-3-(2-pyrrolidin-1-ylethyl)pyrimidin-4-one?
The IUPAC name of 5,6-dichloro-3-(2-pyrrolidin-1-ylethyl)pyrimidin-4-one (CID 114583124) is 5,6-dichloro-3-(2-pyrrolidin-1-ylethyl)pyrimidin-4-one.
What is the SMILES notation for 5,6-dichloro-3-(2-pyrrolidin-1-ylethyl)pyrimidin-4-one?
The canonical SMILES for 5,6-dichloro-3-(2-pyrrolidin-1-ylethyl)pyrimidin-4-one is O=c1c(Cl)c(Cl)ncn1CCN1CCCC1.
What is the InChIKey of 5,6-dichloro-3-(2-pyrrolidin-1-ylethyl)pyrimidin-4-one?
The InChIKey is ZSCAJRFAZPVHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2N3O/c11-8-9(12)13-7-15(10(8)16)6-5-14-3-1-2-4-14/h7H,1-6H2.
What are the key properties of 5,6-dichloro-3-(2-pyrrolidin-1-ylethyl)pyrimidin-4-one?
5,6-dichloro-3-(2-pyrrolidin-1-ylethyl)pyrimidin-4-one has a molecular weight of 262.14 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-3-(2-pyrrolidin-1-ylethyl)pyrimidin-4-one is sourced from PubChem (CID 114583124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).