2-butyl-7-chloro-2-propyl-1,3-dihydroimidazo[1,2-c]pyrimidin-5-one

C13H20ClN3O — CID 145002851

IUPAC2-butyl-7-chloro-2-propyl-1,3-dihydroimidazo[1,2-c]pyrimidin-5-one
SMILESCCCCC1(CCC)Cn2c(cc(Cl)nc2=O)N1
InChIInChI=1S/C13H20ClN3O/c1-3-5-7-13(6-4-2)9-17-11(16-13)8-10(14)15-12(17)18/h8,16H,3-7,9H2,1-2H3
InChIKeyWCJSQXOFFQZSNP-UHFFFAOYSA-N
MW269.78 g/mol
LogP3.05
Rot. Bonds5

About 2-butyl-7-chloro-2-propyl-1,3-dihydroimidazo[1,2-c]pyrimidin-5-one

2-butyl-7-chloro-2-propyl-1,3-dihydroimidazo[1,2-c]pyrimidin-5-one (PubChem CID 145002851) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is 2-butyl-7-chloro-2-propyl-1,3-dihydroimidazo[1,2-c]pyrimidin-5-one.

Molecular Properties

Compound Name2-butyl-7-chloro-2-propyl-1,3-dihydroimidazo[1,2-c]pyrimidin-5-one
PubChem CID145002851
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC Name2-butyl-7-chloro-2-propyl-1,3-dihydroimidazo[1,2-c]pyrimidin-5-one
SMILESCCCCC1(CCC)Cn2c(cc(Cl)nc2=O)N1
InChIInChI=1S/C13H20ClN3O/c1-3-5-7-13(6-4-2)9-17-11(16-13)8-10(14)15-12(17)18/h8,16H,3-7,9H2,1-2H3
InChIKeyWCJSQXOFFQZSNP-UHFFFAOYSA-N
XLogP3.05
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-7-chloro-2-propyl-1,3-dihydroimidazo[1,2-c]pyrimidin-5-one?
The IUPAC name of 2-butyl-7-chloro-2-propyl-1,3-dihydroimidazo[1,2-c]pyrimidin-5-one (CID 145002851) is 2-butyl-7-chloro-2-propyl-1,3-dihydroimidazo[1,2-c]pyrimidin-5-one.
What is the SMILES notation for 2-butyl-7-chloro-2-propyl-1,3-dihydroimidazo[1,2-c]pyrimidin-5-one?
The canonical SMILES for 2-butyl-7-chloro-2-propyl-1,3-dihydroimidazo[1,2-c]pyrimidin-5-one is CCCCC1(CCC)Cn2c(cc(Cl)nc2=O)N1.
What is the InChIKey of 2-butyl-7-chloro-2-propyl-1,3-dihydroimidazo[1,2-c]pyrimidin-5-one?
The InChIKey is WCJSQXOFFQZSNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O/c1-3-5-7-13(6-4-2)9-17-11(16-13)8-10(14)15-12(17)18/h8,16H,3-7,9H2,1-2H3.
What are the key properties of 2-butyl-7-chloro-2-propyl-1,3-dihydroimidazo[1,2-c]pyrimidin-5-one?
2-butyl-7-chloro-2-propyl-1,3-dihydroimidazo[1,2-c]pyrimidin-5-one has a molecular weight of 269.78 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-7-chloro-2-propyl-1,3-dihydroimidazo[1,2-c]pyrimidin-5-one is sourced from PubChem (CID 145002851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).