N-(2,2-difluoroethyl)-N-(2-hydroxypropyl)imidazo[1,2-a]pyrimidine-2-carboxamide

C12H14F2N4O2 — CID 138017234

IUPACN-(2,2-difluoroethyl)-N-(2-hydroxypropyl)imidazo[1,2-a]pyrimidine-2-carboxamide
SMILESCC(O)CN(CC(F)F)C(=O)c1cn2cccnc2n1
InChIInChI=1S/C12H14F2N4O2/c1-8(19)5-18(7-10(13)14)11(20)9-6-17-4-2-3-15-12(17)16-9/h2-4,6,8,10,19H,5,7H2,1H3
InChIKeyLIBTYTZNNNMJGY-UHFFFAOYSA-N
MW284.27 g/mol
LogP0.82
Rot. Bonds5

About N-(2,2-difluoroethyl)-N-(2-hydroxypropyl)imidazo[1,2-a]pyrimidine-2-carboxamide

N-(2,2-difluoroethyl)-N-(2-hydroxypropyl)imidazo[1,2-a]pyrimidine-2-carboxamide (PubChem CID 138017234) has the molecular formula C12H14F2N4O2 and a molecular weight of 284.27 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-(2-hydroxypropyl)imidazo[1,2-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-(2-hydroxypropyl)imidazo[1,2-a]pyrimidine-2-carboxamide
PubChem CID138017234
Molecular FormulaC12H14F2N4O2
Molecular Weight284.27 g/mol
Exact Mass284.11
IUPAC NameN-(2,2-difluoroethyl)-N-(2-hydroxypropyl)imidazo[1,2-a]pyrimidine-2-carboxamide
SMILESCC(O)CN(CC(F)F)C(=O)c1cn2cccnc2n1
InChIInChI=1S/C12H14F2N4O2/c1-8(19)5-18(7-10(13)14)11(20)9-6-17-4-2-3-15-12(17)16-9/h2-4,6,8,10,19H,5,7H2,1H3
InChIKeyLIBTYTZNNNMJGY-UHFFFAOYSA-N
XLogP0.82
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxypropyl)imidazo[1,2-a]pyrimidine-2-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxypropyl)imidazo[1,2-a]pyrimidine-2-carboxamide (CID 138017234) is N-(2,2-difluoroethyl)-N-(2-hydroxypropyl)imidazo[1,2-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-(2-hydroxypropyl)imidazo[1,2-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N-(2-hydroxypropyl)imidazo[1,2-a]pyrimidine-2-carboxamide is CC(O)CN(CC(F)F)C(=O)c1cn2cccnc2n1.
What is the InChIKey of N-(2,2-difluoroethyl)-N-(2-hydroxypropyl)imidazo[1,2-a]pyrimidine-2-carboxamide?
The InChIKey is LIBTYTZNNNMJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N4O2/c1-8(19)5-18(7-10(13)14)11(20)9-6-17-4-2-3-15-12(17)16-9/h2-4,6,8,10,19H,5,7H2,1H3.
What are the key properties of N-(2,2-difluoroethyl)-N-(2-hydroxypropyl)imidazo[1,2-a]pyrimidine-2-carboxamide?
N-(2,2-difluoroethyl)-N-(2-hydroxypropyl)imidazo[1,2-a]pyrimidine-2-carboxamide has a molecular weight of 284.27 g/mol, XLogP of 0.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N-(2-hydroxypropyl)imidazo[1,2-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 138017234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).