2-cyclopropyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide

C13H17F2N3O3 — CID 136737791

IUPAC2-cyclopropyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCc1nc(C2CC2)[nH]c(=O)c1C(=O)N(CCO)CC(F)F
InChIInChI=1S/C13H17F2N3O3/c1-7-10(12(20)17-11(16-7)8-2-3-8)13(21)18(4-5-19)6-9(14)15/h8-9,19H,2-6H2,1H3,(H,16,17,20)
InChIKeyIIOYCBWYWSCULQ-UHFFFAOYSA-N
MW301.29 g/mol
LogP0.66
Rot. Bonds6

About 2-cyclopropyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide

2-cyclopropyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 136737791) has the molecular formula C13H17F2N3O3 and a molecular weight of 301.29 g/mol. Its IUPAC name is 2-cyclopropyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID136737791
Molecular FormulaC13H17F2N3O3
Molecular Weight301.29 g/mol
Exact Mass301.12
IUPAC Name2-cyclopropyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCc1nc(C2CC2)[nH]c(=O)c1C(=O)N(CCO)CC(F)F
InChIInChI=1S/C13H17F2N3O3/c1-7-10(12(20)17-11(16-7)8-2-3-8)13(21)18(4-5-19)6-9(14)15/h8-9,19H,2-6H2,1H3,(H,16,17,20)
InChIKeyIIOYCBWYWSCULQ-UHFFFAOYSA-N
XLogP0.66
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.29
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-cyclopropyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide with MolForge

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Related Compounds

4-methyl-6-oxo-2-propan-2-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1H-pyrimidine-5-carboxamide
CID 136689244
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-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
N-(3,3-difluoro-2-hydroxypropyl)-4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide
CID 136797849
2-Cyclopropyl-3-(2-hydroxyethyl)-5,6-dimethylpyrimidin-4-one
CID 123439996
2-cyclopropyl-N-(2-hydroxy-3-methoxypropyl)-N,4-dimethyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 135998945
2-cyclopropyl-N,N-bis(2-hydroxyethyl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 136033621
N,N-bis(2-hydroxyethyl)-4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide
CID 136033622
2-cyclopropyl-N-(1-hydroxybutan-2-yl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 136035859

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of 2-cyclopropyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide (CID 136737791) is 2-cyclopropyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide is Cc1nc(C2CC2)[nH]c(=O)c1C(=O)N(CCO)CC(F)F.
What is the InChIKey of 2-cyclopropyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is IIOYCBWYWSCULQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N3O3/c1-7-10(12(20)17-11(16-7)8-2-3-8)13(21)18(4-5-19)6-9(14)15/h8-9,19H,2-6H2,1H3,(H,16,17,20).
What are the key properties of 2-cyclopropyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
2-cyclopropyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 301.29 g/mol, XLogP of 0.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 136737791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).