4-amino-6-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-5-carboxamide

C10H13F3N4O2 — CID 103151382

IUPAC4-amino-6-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-5-carboxamide
SMILESCc1nc(CCOCC(F)(F)F)nc(N)c1C(N)=O
InChIInChI=1S/C10H13F3N4O2/c1-5-7(9(15)18)8(14)17-6(16-5)2-3-19-4-10(11,12)13/h2-4H2,1H3,(H2,15,18)(H2,14,16,17)
InChIKeyPEPKPLVXWMMIAW-UHFFFAOYSA-N
MW278.23 g/mol
LogP0.59
Rot. Bonds5

About 4-amino-6-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-5-carboxamide

4-amino-6-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-5-carboxamide (PubChem CID 103151382) has the molecular formula C10H13F3N4O2 and a molecular weight of 278.23 g/mol. Its IUPAC name is 4-amino-6-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-amino-6-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-5-carboxamide
PubChem CID103151382
Molecular FormulaC10H13F3N4O2
Molecular Weight278.23 g/mol
Exact Mass278.10
IUPAC Name4-amino-6-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-5-carboxamide
SMILESCc1nc(CCOCC(F)(F)F)nc(N)c1C(N)=O
InChIInChI=1S/C10H13F3N4O2/c1-5-7(9(15)18)8(14)17-6(16-5)2-3-19-4-10(11,12)13/h2-4H2,1H3,(H2,15,18)(H2,14,16,17)
InChIKeyPEPKPLVXWMMIAW-UHFFFAOYSA-N
XLogP0.59
TPSA104.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-amino-6-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]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

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-5-carboxamide?
The IUPAC name of 4-amino-6-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-5-carboxamide (CID 103151382) is 4-amino-6-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-amino-6-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-5-carboxamide?
The canonical SMILES for 4-amino-6-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-5-carboxamide is Cc1nc(CCOCC(F)(F)F)nc(N)c1C(N)=O.
What is the InChIKey of 4-amino-6-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-5-carboxamide?
The InChIKey is PEPKPLVXWMMIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4O2/c1-5-7(9(15)18)8(14)17-6(16-5)2-3-19-4-10(11,12)13/h2-4H2,1H3,(H2,15,18)(H2,14,16,17).
What are the key properties of 4-amino-6-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-5-carboxamide?
4-amino-6-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-5-carboxamide has a molecular weight of 278.23 g/mol, XLogP of 0.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 103151382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).