4-amino-6-methyl-2-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide

C8H9F3N4O — CID 116648179

IUPAC4-amino-6-methyl-2-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide
SMILESCc1nc(CC(F)(F)F)nc(N)c1C(N)=O
InChIInChI=1S/C8H9F3N4O/c1-3-5(7(13)16)6(12)15-4(14-3)2-8(9,10)11/h2H2,1H3,(H2,13,16)(H2,12,14,15)
InChIKeyNTZZYNWUQXGZKD-UHFFFAOYSA-N
MW234.18 g/mol
LogP0.57
Rot. Bonds2

About 4-amino-6-methyl-2-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide

4-amino-6-methyl-2-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide (PubChem CID 116648179) has the molecular formula C8H9F3N4O and a molecular weight of 234.18 g/mol. Its IUPAC name is 4-amino-6-methyl-2-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-amino-6-methyl-2-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide
PubChem CID116648179
Molecular FormulaC8H9F3N4O
Molecular Weight234.18 g/mol
Exact Mass234.07
IUPAC Name4-amino-6-methyl-2-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide
SMILESCc1nc(CC(F)(F)F)nc(N)c1C(N)=O
InChIInChI=1S/C8H9F3N4O/c1-3-5(7(13)16)6(12)15-4(14-3)2-8(9,10)11/h2H2,1H3,(H2,13,16)(H2,12,14,15)
InChIKeyNTZZYNWUQXGZKD-UHFFFAOYSA-N
XLogP0.57
TPSA94.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.18
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-methyl-2-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide?
The IUPAC name of 4-amino-6-methyl-2-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide (CID 116648179) is 4-amino-6-methyl-2-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 4-amino-6-methyl-2-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide?
The canonical SMILES for 4-amino-6-methyl-2-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide is Cc1nc(CC(F)(F)F)nc(N)c1C(N)=O.
What is the InChIKey of 4-amino-6-methyl-2-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide?
The InChIKey is NTZZYNWUQXGZKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N4O/c1-3-5(7(13)16)6(12)15-4(14-3)2-8(9,10)11/h2H2,1H3,(H2,13,16)(H2,12,14,15).
What are the key properties of 4-amino-6-methyl-2-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide?
4-amino-6-methyl-2-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide has a molecular weight of 234.18 g/mol, XLogP of 0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-methyl-2-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 116648179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).