8-(3-chloro-4-fluorophenyl)-2-[(dimethylamino)methyl]-6-methylimidazo[1,2-c]pyrimidin-5-one

C16H16ClFN4O — CID 134807898

IUPAC8-(3-chloro-4-fluorophenyl)-2-[(dimethylamino)methyl]-6-methylimidazo[1,2-c]pyrimidin-5-one
SMILESCN(C)Cc1cn2c(=O)n(C)cc(-c3ccc(F)c(Cl)c3)c2n1
InChIInChI=1S/C16H16ClFN4O/c1-20(2)7-11-8-22-15(19-11)12(9-21(3)16(22)23)10-4-5-14(18)13(17)6-10/h4-6,8-9H,7H2,1-3H3
InChIKeyLQMFBKSUQDWKDY-UHFFFAOYSA-N
MW334.78 g/mol
LogP2.55
Rot. Bonds3

About 8-(3-chloro-4-fluorophenyl)-2-[(dimethylamino)methyl]-6-methylimidazo[1,2-c]pyrimidin-5-one

8-(3-chloro-4-fluorophenyl)-2-[(dimethylamino)methyl]-6-methylimidazo[1,2-c]pyrimidin-5-one (PubChem CID 134807898) has the molecular formula C16H16ClFN4O and a molecular weight of 334.78 g/mol. Its IUPAC name is 8-(3-chloro-4-fluorophenyl)-2-[(dimethylamino)methyl]-6-methylimidazo[1,2-c]pyrimidin-5-one.

Molecular Properties

Compound Name8-(3-chloro-4-fluorophenyl)-2-[(dimethylamino)methyl]-6-methylimidazo[1,2-c]pyrimidin-5-one
PubChem CID134807898
Molecular FormulaC16H16ClFN4O
Molecular Weight334.78 g/mol
Exact Mass334.10
IUPAC Name8-(3-chloro-4-fluorophenyl)-2-[(dimethylamino)methyl]-6-methylimidazo[1,2-c]pyrimidin-5-one
SMILESCN(C)Cc1cn2c(=O)n(C)cc(-c3ccc(F)c(Cl)c3)c2n1
InChIInChI=1S/C16H16ClFN4O/c1-20(2)7-11-8-22-15(19-11)12(9-21(3)16(22)23)10-4-5-14(18)13(17)6-10/h4-6,8-9H,7H2,1-3H3
InChIKeyLQMFBKSUQDWKDY-UHFFFAOYSA-N
XLogP2.55
TPSA42.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.78
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(3-chloro-4-fluorophenyl)-2-[(dimethylamino)methyl]-6-methylimidazo[1,2-c]pyrimidin-5-one?
The IUPAC name of 8-(3-chloro-4-fluorophenyl)-2-[(dimethylamino)methyl]-6-methylimidazo[1,2-c]pyrimidin-5-one (CID 134807898) is 8-(3-chloro-4-fluorophenyl)-2-[(dimethylamino)methyl]-6-methylimidazo[1,2-c]pyrimidin-5-one.
What is the SMILES notation for 8-(3-chloro-4-fluorophenyl)-2-[(dimethylamino)methyl]-6-methylimidazo[1,2-c]pyrimidin-5-one?
The canonical SMILES for 8-(3-chloro-4-fluorophenyl)-2-[(dimethylamino)methyl]-6-methylimidazo[1,2-c]pyrimidin-5-one is CN(C)Cc1cn2c(=O)n(C)cc(-c3ccc(F)c(Cl)c3)c2n1.
What is the InChIKey of 8-(3-chloro-4-fluorophenyl)-2-[(dimethylamino)methyl]-6-methylimidazo[1,2-c]pyrimidin-5-one?
The InChIKey is LQMFBKSUQDWKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN4O/c1-20(2)7-11-8-22-15(19-11)12(9-21(3)16(22)23)10-4-5-14(18)13(17)6-10/h4-6,8-9H,7H2,1-3H3.
What are the key properties of 8-(3-chloro-4-fluorophenyl)-2-[(dimethylamino)methyl]-6-methylimidazo[1,2-c]pyrimidin-5-one?
8-(3-chloro-4-fluorophenyl)-2-[(dimethylamino)methyl]-6-methylimidazo[1,2-c]pyrimidin-5-one has a molecular weight of 334.78 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-chloro-4-fluorophenyl)-2-[(dimethylamino)methyl]-6-methylimidazo[1,2-c]pyrimidin-5-one is sourced from PubChem (CID 134807898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).