5-amino-2-methyl-4-(trifluoromethyl)-1H-pyrimidin-6-one

C6H6F3N3O — CID 144715322

IUPAC5-amino-2-methyl-4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESCc1nc(C(F)(F)F)c(N)c(=O)[nH]1
InChIInChI=1S/C6H6F3N3O/c1-2-11-4(6(7,8)9)3(10)5(13)12-2/h10H2,1H3,(H,11,12,13)
InChIKeyKAKHOKLAATUOBQ-UHFFFAOYSA-N
MW193.13 g/mol
LogP0.68
Rot. Bonds

About 5-amino-2-methyl-4-(trifluoromethyl)-1H-pyrimidin-6-one

5-amino-2-methyl-4-(trifluoromethyl)-1H-pyrimidin-6-one (PubChem CID 144715322) has the molecular formula C6H6F3N3O and a molecular weight of 193.13 g/mol. Its IUPAC name is 5-amino-2-methyl-4-(trifluoromethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-2-methyl-4-(trifluoromethyl)-1H-pyrimidin-6-one
PubChem CID144715322
Molecular FormulaC6H6F3N3O
Molecular Weight193.13 g/mol
Exact Mass193.05
IUPAC Name5-amino-2-methyl-4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESCc1nc(C(F)(F)F)c(N)c(=O)[nH]1
InChIInChI=1S/C6H6F3N3O/c1-2-11-4(6(7,8)9)3(10)5(13)12-2/h10H2,1H3,(H,11,12,13)
InChIKeyKAKHOKLAATUOBQ-UHFFFAOYSA-N
XLogP0.68
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.13
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methyl-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-2-methyl-4-(trifluoromethyl)-1H-pyrimidin-6-one (CID 144715322) is 5-amino-2-methyl-4-(trifluoromethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-2-methyl-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-2-methyl-4-(trifluoromethyl)-1H-pyrimidin-6-one is Cc1nc(C(F)(F)F)c(N)c(=O)[nH]1.
What is the InChIKey of 5-amino-2-methyl-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The InChIKey is KAKHOKLAATUOBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3N3O/c1-2-11-4(6(7,8)9)3(10)5(13)12-2/h10H2,1H3,(H,11,12,13).
What are the key properties of 5-amino-2-methyl-4-(trifluoromethyl)-1H-pyrimidin-6-one?
5-amino-2-methyl-4-(trifluoromethyl)-1H-pyrimidin-6-one has a molecular weight of 193.13 g/mol, XLogP of 0.68, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methyl-4-(trifluoromethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 144715322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).