6-chloro-2-methyl-3-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-one

C12H18ClN3O — CID 114581641

IUPAC6-chloro-2-methyl-3-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-one
SMILESCc1nc(Cl)cc(=O)n1CCCN1CCCC1
InChIInChI=1S/C12H18ClN3O/c1-10-14-11(13)9-12(17)16(10)8-4-7-15-5-2-3-6-15/h9H,2-8H2,1H3
InChIKeySDDUBFHYQOBERG-UHFFFAOYSA-N
MW255.75 g/mol
LogP1.69
Rot. Bonds4

About 6-chloro-2-methyl-3-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-one

6-chloro-2-methyl-3-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-one (PubChem CID 114581641) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is 6-chloro-2-methyl-3-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-2-methyl-3-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-one
PubChem CID114581641
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name6-chloro-2-methyl-3-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-one
SMILESCc1nc(Cl)cc(=O)n1CCCN1CCCC1
InChIInChI=1S/C12H18ClN3O/c1-10-14-11(13)9-12(17)16(10)8-4-7-15-5-2-3-6-15/h9H,2-8H2,1H3
InChIKeySDDUBFHYQOBERG-UHFFFAOYSA-N
XLogP1.69
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-Chloro-2-methyl-3-(4,4,4-trifluorobutyl)pyrimidin-4-one
CID 114581717
6-Chloro-3-(3-fluoropropyl)-2-methylpyrimidin-4-one
CID 114581954
6-Chloro-2-ethyl-3-(2-fluoroethyl)pyrimidin-4-one
CID 114584391
6-Chloro-2-ethyl-3-(3-fluoropropyl)pyrimidin-4-one
CID 114584452
2-Chloro-7,8-dihydropyrrolo[1,2-a]pyrimidin-4(6H)-one
CID 83816236
6-Chloro-3-ethyl-2-methylpyrimidin-4-one
CID 114581811
6-Chloro-2,3-diethylpyrimidin-4-one
CID 114584343
6-Chloro-2-ethenyl-3-ethylpyrimidin-4-one
CID 118490029
7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one;ethane
CID 177012897
6-Chloro-2-methyl-3-pentan-2-ylpyrimidin-4-one
CID 107885721
6-Chloro-2-ethyl-3-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-one
CID 113604486
6-Chloro-3-(2-oxo-2-pyrrolidin-1-ylethyl)-2-propan-2-ylpyrimidin-4-one
CID 113604591

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methyl-3-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-one?
The IUPAC name of 6-chloro-2-methyl-3-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-one (CID 114581641) is 6-chloro-2-methyl-3-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-one.
What is the SMILES notation for 6-chloro-2-methyl-3-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-one?
The canonical SMILES for 6-chloro-2-methyl-3-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-one is Cc1nc(Cl)cc(=O)n1CCCN1CCCC1.
What is the InChIKey of 6-chloro-2-methyl-3-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-one?
The InChIKey is SDDUBFHYQOBERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O/c1-10-14-11(13)9-12(17)16(10)8-4-7-15-5-2-3-6-15/h9H,2-8H2,1H3.
What are the key properties of 6-chloro-2-methyl-3-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-one?
6-chloro-2-methyl-3-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-one has a molecular weight of 255.75 g/mol, XLogP of 1.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methyl-3-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-one is sourced from PubChem (CID 114581641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).