5-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-propan-2-ylpyrimidine-4-carboxamide

C12H18F2N4O2 — CID 107486025

IUPAC5-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCC(C)c1ncc(N)c(C(=O)N(CCO)CC(F)F)n1
InChIInChI=1S/C12H18F2N4O2/c1-7(2)11-16-5-8(15)10(17-11)12(20)18(3-4-19)6-9(13)14/h5,7,9,19H,3-4,6,15H2,1-2H3
InChIKeyRPBMTETUWKURKM-UHFFFAOYSA-N
MW288.30 g/mol
LogP0.88
Rot. Bonds6

About 5-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-propan-2-ylpyrimidine-4-carboxamide

5-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-propan-2-ylpyrimidine-4-carboxamide (PubChem CID 107486025) has the molecular formula C12H18F2N4O2 and a molecular weight of 288.30 g/mol. Its IUPAC name is 5-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-propan-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-propan-2-ylpyrimidine-4-carboxamide
PubChem CID107486025
Molecular FormulaC12H18F2N4O2
Molecular Weight288.30 g/mol
Exact Mass288.14
IUPAC Name5-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCC(C)c1ncc(N)c(C(=O)N(CCO)CC(F)F)n1
InChIInChI=1S/C12H18F2N4O2/c1-7(2)11-16-5-8(15)10(17-11)12(20)18(3-4-19)6-9(13)14/h5,7,9,19H,3-4,6,15H2,1-2H3
InChIKeyRPBMTETUWKURKM-UHFFFAOYSA-N
XLogP0.88
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-propan-2-ylpyrimidine-4-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

5-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 62160184
5-amino-N-ethyl-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide
CID 62155107
5-amino-N-methyl-N-(2-methylsulfonylethyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 79864352
5-amino-N-(2-methoxyethyl)-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide
CID 55041532
N-ethyl-5-hydrazinyl-N-(2-hydroxyethyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 62237150
5-amino-N-butan-2-yl-N-butyl-2-propan-2-ylpyrimidine-4-carboxamide
CID 62186030
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)isoquinoline-1-carboxamide
CID 107482402
5-amino-N-(2-ethoxyethyl)-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide
CID 81074196
3,4,5-trichloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)pyridine-2-carboxamide
CID 107482488
5-amino-N-(2,2-dimethylpropyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 62161344
5-amino-N-(2,3-dimethylbutyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 64583560
5-amino-N-methyl-2-propan-2-yl-N-pyridin-4-ylpyrimidine-4-carboxamide
CID 106937249

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-propan-2-ylpyrimidine-4-carboxamide?
The IUPAC name of 5-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-propan-2-ylpyrimidine-4-carboxamide (CID 107486025) is 5-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-propan-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 5-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-propan-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for 5-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-propan-2-ylpyrimidine-4-carboxamide is CC(C)c1ncc(N)c(C(=O)N(CCO)CC(F)F)n1.
What is the InChIKey of 5-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-propan-2-ylpyrimidine-4-carboxamide?
The InChIKey is RPBMTETUWKURKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N4O2/c1-7(2)11-16-5-8(15)10(17-11)12(20)18(3-4-19)6-9(13)14/h5,7,9,19H,3-4,6,15H2,1-2H3.
What are the key properties of 5-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-propan-2-ylpyrimidine-4-carboxamide?
5-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-propan-2-ylpyrimidine-4-carboxamide has a molecular weight of 288.30 g/mol, XLogP of 0.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-propan-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 107486025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).