1-(2-cyclopropyl-2-oxoethyl)-2-(difluoromethyl)-2-methyl-7-(3-methylmorpholin-4-yl)-3H-imidazo[1,2-a]pyrimidin-5-one

C18H24F2N4O3 — CID 123854087

IUPAC1-(2-cyclopropyl-2-oxoethyl)-2-(difluoromethyl)-2-methyl-7-(3-methylmorpholin-4-yl)-3H-imidazo[1,2-a]pyrimidin-5-one
SMILESCC1COCCN1c1cc(=O)n2c(n1)N(CC(=O)C1CC1)C(C)(C(F)F)C2
InChIInChI=1S/C18H24F2N4O3/c1-11-9-27-6-5-22(11)14-7-15(26)23-10-18(2,16(19)20)24(17(23)21-14)8-13(25)12-3-4-12/h7,11-12,16H,3-6,8-10H2,1-2H3
InChIKeyMYXDXSZMVILRBC-UHFFFAOYSA-N
MW382.41 g/mol
LogP1.29
Rot. Bonds5

About 1-(2-cyclopropyl-2-oxoethyl)-2-(difluoromethyl)-2-methyl-7-(3-methylmorpholin-4-yl)-3H-imidazo[1,2-a]pyrimidin-5-one

1-(2-cyclopropyl-2-oxoethyl)-2-(difluoromethyl)-2-methyl-7-(3-methylmorpholin-4-yl)-3H-imidazo[1,2-a]pyrimidin-5-one (PubChem CID 123854087) has the molecular formula C18H24F2N4O3 and a molecular weight of 382.41 g/mol. Its IUPAC name is 1-(2-cyclopropyl-2-oxoethyl)-2-(difluoromethyl)-2-methyl-7-(3-methylmorpholin-4-yl)-3H-imidazo[1,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name1-(2-cyclopropyl-2-oxoethyl)-2-(difluoromethyl)-2-methyl-7-(3-methylmorpholin-4-yl)-3H-imidazo[1,2-a]pyrimidin-5-one
PubChem CID123854087
Molecular FormulaC18H24F2N4O3
Molecular Weight382.41 g/mol
Exact Mass382.18
IUPAC Name1-(2-cyclopropyl-2-oxoethyl)-2-(difluoromethyl)-2-methyl-7-(3-methylmorpholin-4-yl)-3H-imidazo[1,2-a]pyrimidin-5-one
SMILESCC1COCCN1c1cc(=O)n2c(n1)N(CC(=O)C1CC1)C(C)(C(F)F)C2
InChIInChI=1S/C18H24F2N4O3/c1-11-9-27-6-5-22(11)14-7-15(26)23-10-18(2,16(19)20)24(17(23)21-14)8-13(25)12-3-4-12/h7,11-12,16H,3-6,8-10H2,1-2H3
InChIKeyMYXDXSZMVILRBC-UHFFFAOYSA-N
XLogP1.29
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.41
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropyl-2-oxoethyl)-2-(difluoromethyl)-2-methyl-7-(3-methylmorpholin-4-yl)-3H-imidazo[1,2-a]pyrimidin-5-one?
The IUPAC name of 1-(2-cyclopropyl-2-oxoethyl)-2-(difluoromethyl)-2-methyl-7-(3-methylmorpholin-4-yl)-3H-imidazo[1,2-a]pyrimidin-5-one (CID 123854087) is 1-(2-cyclopropyl-2-oxoethyl)-2-(difluoromethyl)-2-methyl-7-(3-methylmorpholin-4-yl)-3H-imidazo[1,2-a]pyrimidin-5-one.
What is the SMILES notation for 1-(2-cyclopropyl-2-oxoethyl)-2-(difluoromethyl)-2-methyl-7-(3-methylmorpholin-4-yl)-3H-imidazo[1,2-a]pyrimidin-5-one?
The canonical SMILES for 1-(2-cyclopropyl-2-oxoethyl)-2-(difluoromethyl)-2-methyl-7-(3-methylmorpholin-4-yl)-3H-imidazo[1,2-a]pyrimidin-5-one is CC1COCCN1c1cc(=O)n2c(n1)N(CC(=O)C1CC1)C(C)(C(F)F)C2.
What is the InChIKey of 1-(2-cyclopropyl-2-oxoethyl)-2-(difluoromethyl)-2-methyl-7-(3-methylmorpholin-4-yl)-3H-imidazo[1,2-a]pyrimidin-5-one?
The InChIKey is MYXDXSZMVILRBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F2N4O3/c1-11-9-27-6-5-22(11)14-7-15(26)23-10-18(2,16(19)20)24(17(23)21-14)8-13(25)12-3-4-12/h7,11-12,16H,3-6,8-10H2,1-2H3.
What are the key properties of 1-(2-cyclopropyl-2-oxoethyl)-2-(difluoromethyl)-2-methyl-7-(3-methylmorpholin-4-yl)-3H-imidazo[1,2-a]pyrimidin-5-one?
1-(2-cyclopropyl-2-oxoethyl)-2-(difluoromethyl)-2-methyl-7-(3-methylmorpholin-4-yl)-3H-imidazo[1,2-a]pyrimidin-5-one has a molecular weight of 382.41 g/mol, XLogP of 1.29, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropyl-2-oxoethyl)-2-(difluoromethyl)-2-methyl-7-(3-methylmorpholin-4-yl)-3H-imidazo[1,2-a]pyrimidin-5-one is sourced from PubChem (CID 123854087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).