N-(3,3-difluoro-2-hydroxypropyl)-4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide

C12H17F2N3O3 — CID 136797849

IUPACN-(3,3-difluoro-2-hydroxypropyl)-4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide
SMILESCc1nc(C(C)C)[nH]c(=O)c1C(=O)NCC(O)C(F)F
InChIInChI=1S/C12H17F2N3O3/c1-5(2)10-16-6(3)8(12(20)17-10)11(19)15-4-7(18)9(13)14/h5,7,9,18H,4H2,1-3H3,(H,15,19)(H,16,17,20)
InChIKeyODLQWIAZFGYJPZ-UHFFFAOYSA-N
MW289.28 g/mol
LogP0.56
Rot. Bonds5

About N-(3,3-difluoro-2-hydroxypropyl)-4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide

N-(3,3-difluoro-2-hydroxypropyl)-4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide (PubChem CID 136797849) has the molecular formula C12H17F2N3O3 and a molecular weight of 289.28 g/mol. Its IUPAC name is N-(3,3-difluoro-2-hydroxypropyl)-4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3,3-difluoro-2-hydroxypropyl)-4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide
PubChem CID136797849
Molecular FormulaC12H17F2N3O3
Molecular Weight289.28 g/mol
Exact Mass289.12
IUPAC NameN-(3,3-difluoro-2-hydroxypropyl)-4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide
SMILESCc1nc(C(C)C)[nH]c(=O)c1C(=O)NCC(O)C(F)F
InChIInChI=1S/C12H17F2N3O3/c1-5(2)10-16-6(3)8(12(20)17-10)11(19)15-4-7(18)9(13)14/h5,7,9,18H,4H2,1-3H3,(H,15,19)(H,16,17,20)
InChIKeyODLQWIAZFGYJPZ-UHFFFAOYSA-N
XLogP0.56
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.28
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(3,3-difluoro-2-hydroxypropyl)-4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-6-oxo-2-propan-2-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1H-pyrimidine-5-carboxamide
CID 136689244
2-cyclopropyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 136737791
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide
CID 136737792
2-cyclopropyl-N-(2,2-difluoro-3-hydroxypropyl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 136757494
N-(2,2-difluoro-3-hydroxypropyl)-4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide
CID 136785582
2,4-dimethyl-5-[1-[(3,3,3-trifluoro-2-hydroxypropyl)amino]ethyl]-1H-pyrimidin-6-one
CID 136790760
2-cyclopropyl-4-methyl-6-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-1H-pyrimidine-5-carboxamide
CID 136790791
2-cyclopropyl-N-(3,3-difluoro-2-hydroxypropyl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 136790792
5-[1-[(3,3-difluoro-2-hydroxypropyl)amino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 136948163
5-(3-hydroxypyrrolidine-1-carbonyl)-4-methyl-2-propan-2-yl-1H-pyrimidin-6-one
CID 135971323
N-(2-hydroxy-3-methoxypropyl)-N,4-dimethyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide
CID 135998949
2-cyclopropyl-N,N-bis(2-hydroxyethyl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 136033621

Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide (CID 136797849) is N-(3,3-difluoro-2-hydroxypropyl)-4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-(3,3-difluoro-2-hydroxypropyl)-4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-(3,3-difluoro-2-hydroxypropyl)-4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide is Cc1nc(C(C)C)[nH]c(=O)c1C(=O)NCC(O)C(F)F.
What is the InChIKey of N-(3,3-difluoro-2-hydroxypropyl)-4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide?
The InChIKey is ODLQWIAZFGYJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N3O3/c1-5(2)10-16-6(3)8(12(20)17-10)11(19)15-4-7(18)9(13)14/h5,7,9,18H,4H2,1-3H3,(H,15,19)(H,16,17,20).
What are the key properties of N-(3,3-difluoro-2-hydroxypropyl)-4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide?
N-(3,3-difluoro-2-hydroxypropyl)-4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide has a molecular weight of 289.28 g/mol, XLogP of 0.56, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluoro-2-hydroxypropyl)-4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 136797849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).