[4-(2-ethyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)piperazin-1-yl]-(3-fluoro-4-methylphenyl)methanone

C20H24FN5O — CID 53184306

IUPAC[4-(2-ethyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)piperazin-1-yl]-(3-fluoro-4-methylphenyl)methanone
SMILESCCC1CN2C=NC(N3CCN(C(=O)c4ccc(C)c(F)c4)CC3)=CC2=N1
InChIInChI=1S/C20H24FN5O/c1-3-16-12-26-13-22-18(11-19(26)23-16)24-6-8-25(9-7-24)20(27)15-5-4-14(2)17(21)10-15/h4-5,10-11,13,16H,3,6-9,12H2,1-2H3
InChIKeyXMRWEURWYAIOTO-UHFFFAOYSA-N
MW369.44 g/mol
LogP2.27
Rot. Bonds3

About [4-(2-ethyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)piperazin-1-yl]-(3-fluoro-4-methylphenyl)methanone

[4-(2-ethyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)piperazin-1-yl]-(3-fluoro-4-methylphenyl)methanone (PubChem CID 53184306) has the molecular formula C20H24FN5O and a molecular weight of 369.44 g/mol. Its IUPAC name is [4-(2-ethyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)piperazin-1-yl]-(3-fluoro-4-methylphenyl)methanone.

Molecular Properties

Compound Name[4-(2-ethyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)piperazin-1-yl]-(3-fluoro-4-methylphenyl)methanone
PubChem CID53184306
Molecular FormulaC20H24FN5O
Molecular Weight369.44 g/mol
Exact Mass369.20
IUPAC Name[4-(2-ethyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)piperazin-1-yl]-(3-fluoro-4-methylphenyl)methanone
SMILESCCC1CN2C=NC(N3CCN(C(=O)c4ccc(C)c(F)c4)CC3)=CC2=N1
InChIInChI=1S/C20H24FN5O/c1-3-16-12-26-13-22-18(11-19(26)23-16)24-6-8-25(9-7-24)20(27)15-5-4-14(2)17(21)10-15/h4-5,10-11,13,16H,3,6-9,12H2,1-2H3
InChIKeyXMRWEURWYAIOTO-UHFFFAOYSA-N
XLogP2.27
TPSA51.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(2-ethyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)piperazin-1-yl]-(3-fluoro-4-methylphenyl)methanone?
The IUPAC name of [4-(2-ethyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)piperazin-1-yl]-(3-fluoro-4-methylphenyl)methanone (CID 53184306) is [4-(2-ethyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)piperazin-1-yl]-(3-fluoro-4-methylphenyl)methanone.
What is the SMILES notation for [4-(2-ethyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)piperazin-1-yl]-(3-fluoro-4-methylphenyl)methanone?
The canonical SMILES for [4-(2-ethyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)piperazin-1-yl]-(3-fluoro-4-methylphenyl)methanone is CCC1CN2C=NC(N3CCN(C(=O)c4ccc(C)c(F)c4)CC3)=CC2=N1.
What is the InChIKey of [4-(2-ethyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)piperazin-1-yl]-(3-fluoro-4-methylphenyl)methanone?
The InChIKey is XMRWEURWYAIOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN5O/c1-3-16-12-26-13-22-18(11-19(26)23-16)24-6-8-25(9-7-24)20(27)15-5-4-14(2)17(21)10-15/h4-5,10-11,13,16H,3,6-9,12H2,1-2H3.
What are the key properties of [4-(2-ethyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)piperazin-1-yl]-(3-fluoro-4-methylphenyl)methanone?
[4-(2-ethyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)piperazin-1-yl]-(3-fluoro-4-methylphenyl)methanone has a molecular weight of 369.44 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-ethyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)piperazin-1-yl]-(3-fluoro-4-methylphenyl)methanone is sourced from PubChem (CID 53184306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).