2-amino-3-methyl-6-(trifluoromethyl)pyrimidin-4-one

C6H6F3N3O — CID 1483271

IUPAC2-amino-3-methyl-6-(trifluoromethyl)pyrimidin-4-one
SMILESCn1c(N)nc(C(F)(F)F)cc1=O
InChIInChI=1S/C6H6F3N3O/c1-12-4(13)2-3(6(7,8)9)11-5(12)10/h2H,1H3,(H2,10,11)
InChIKeyHILJAKYDYCKBTC-UHFFFAOYSA-N
MW193.13 g/mol
LogP0.38
Rot. Bonds

About 2-amino-3-methyl-6-(trifluoromethyl)pyrimidin-4-one

2-amino-3-methyl-6-(trifluoromethyl)pyrimidin-4-one (PubChem CID 1483271) has the molecular formula C6H6F3N3O and a molecular weight of 193.13 g/mol. Its IUPAC name is 2-amino-3-methyl-6-(trifluoromethyl)pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-3-methyl-6-(trifluoromethyl)pyrimidin-4-one
PubChem CID1483271
Molecular FormulaC6H6F3N3O
Molecular Weight193.13 g/mol
Exact Mass193.05
IUPAC Name2-amino-3-methyl-6-(trifluoromethyl)pyrimidin-4-one
SMILESCn1c(N)nc(C(F)(F)F)cc1=O
InChIInChI=1S/C6H6F3N3O/c1-12-4(13)2-3(6(7,8)9)11-5(12)10/h2H,1H3,(H2,10,11)
InChIKeyHILJAKYDYCKBTC-UHFFFAOYSA-N
XLogP0.38
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.13
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-6-(trifluoromethyl)pyrimidin-4-one?
The IUPAC name of 2-amino-3-methyl-6-(trifluoromethyl)pyrimidin-4-one (CID 1483271) is 2-amino-3-methyl-6-(trifluoromethyl)pyrimidin-4-one.
What is the SMILES notation for 2-amino-3-methyl-6-(trifluoromethyl)pyrimidin-4-one?
The canonical SMILES for 2-amino-3-methyl-6-(trifluoromethyl)pyrimidin-4-one is Cn1c(N)nc(C(F)(F)F)cc1=O.
What is the InChIKey of 2-amino-3-methyl-6-(trifluoromethyl)pyrimidin-4-one?
The InChIKey is HILJAKYDYCKBTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3N3O/c1-12-4(13)2-3(6(7,8)9)11-5(12)10/h2H,1H3,(H2,10,11).
What are the key properties of 2-amino-3-methyl-6-(trifluoromethyl)pyrimidin-4-one?
2-amino-3-methyl-6-(trifluoromethyl)pyrimidin-4-one has a molecular weight of 193.13 g/mol, XLogP of 0.38, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-6-(trifluoromethyl)pyrimidin-4-one is sourced from PubChem (CID 1483271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).