4-amino-6-methyl-2-(3,3,3-trifluoropropyl)pyrimidine-5-carboxamide

C9H11F3N4O — CID 116648109

IUPAC4-amino-6-methyl-2-(3,3,3-trifluoropropyl)pyrimidine-5-carboxamide
SMILESCc1nc(CCC(F)(F)F)nc(N)c1C(N)=O
InChIInChI=1S/C9H11F3N4O/c1-4-6(8(14)17)7(13)16-5(15-4)2-3-9(10,11)12/h2-3H2,1H3,(H2,14,17)(H2,13,15,16)
InChIKeyJNEFFRCIIJEOGS-UHFFFAOYSA-N
MW248.21 g/mol
LogP0.96
Rot. Bonds3

About 4-amino-6-methyl-2-(3,3,3-trifluoropropyl)pyrimidine-5-carboxamide

4-amino-6-methyl-2-(3,3,3-trifluoropropyl)pyrimidine-5-carboxamide (PubChem CID 116648109) has the molecular formula C9H11F3N4O and a molecular weight of 248.21 g/mol. Its IUPAC name is 4-amino-6-methyl-2-(3,3,3-trifluoropropyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-amino-6-methyl-2-(3,3,3-trifluoropropyl)pyrimidine-5-carboxamide
PubChem CID116648109
Molecular FormulaC9H11F3N4O
Molecular Weight248.21 g/mol
Exact Mass248.09
IUPAC Name4-amino-6-methyl-2-(3,3,3-trifluoropropyl)pyrimidine-5-carboxamide
SMILESCc1nc(CCC(F)(F)F)nc(N)c1C(N)=O
InChIInChI=1S/C9H11F3N4O/c1-4-6(8(14)17)7(13)16-5(15-4)2-3-9(10,11)12/h2-3H2,1H3,(H2,14,17)(H2,13,15,16)
InChIKeyJNEFFRCIIJEOGS-UHFFFAOYSA-N
XLogP0.96
TPSA94.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.21
LogP ≤ 50.96
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-(3,3,3-trifluoropropyl)pyrimidine-5-carboxamide?
The IUPAC name of 4-amino-6-methyl-2-(3,3,3-trifluoropropyl)pyrimidine-5-carboxamide (CID 116648109) is 4-amino-6-methyl-2-(3,3,3-trifluoropropyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 4-amino-6-methyl-2-(3,3,3-trifluoropropyl)pyrimidine-5-carboxamide?
The canonical SMILES for 4-amino-6-methyl-2-(3,3,3-trifluoropropyl)pyrimidine-5-carboxamide is Cc1nc(CCC(F)(F)F)nc(N)c1C(N)=O.
What is the InChIKey of 4-amino-6-methyl-2-(3,3,3-trifluoropropyl)pyrimidine-5-carboxamide?
The InChIKey is JNEFFRCIIJEOGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N4O/c1-4-6(8(14)17)7(13)16-5(15-4)2-3-9(10,11)12/h2-3H2,1H3,(H2,14,17)(H2,13,15,16).
What are the key properties of 4-amino-6-methyl-2-(3,3,3-trifluoropropyl)pyrimidine-5-carboxamide?
4-amino-6-methyl-2-(3,3,3-trifluoropropyl)pyrimidine-5-carboxamide has a molecular weight of 248.21 g/mol, XLogP of 0.96, 3 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-(3,3,3-trifluoropropyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 116648109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).