2-(dimethylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one

C7H8F3N3O — CID 135472882

IUPAC2-(dimethylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESCN(C)c1nc(C(F)(F)F)cc(=O)[nH]1
InChIInChI=1S/C7H8F3N3O/c1-13(2)6-11-4(7(8,9)10)3-5(14)12-6/h3H,1-2H3,(H,11,12,14)
InChIKeyCWLLGCJZWOJVPK-UHFFFAOYSA-N
MW207.16 g/mol
LogP0.85
Rot. Bonds1

About 2-(dimethylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one

2-(dimethylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one (PubChem CID 135472882) has the molecular formula C7H8F3N3O and a molecular weight of 207.16 g/mol. Its IUPAC name is 2-(dimethylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(dimethylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one
PubChem CID135472882
Molecular FormulaC7H8F3N3O
Molecular Weight207.16 g/mol
Exact Mass207.06
IUPAC Name2-(dimethylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESCN(C)c1nc(C(F)(F)F)cc(=O)[nH]1
InChIInChI=1S/C7H8F3N3O/c1-13(2)6-11-4(7(8,9)10)3-5(14)12-6/h3H,1-2H3,(H,11,12,14)
InChIKeyCWLLGCJZWOJVPK-UHFFFAOYSA-N
XLogP0.85
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.16
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(dimethylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one (CID 135472882) is 2-(dimethylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(dimethylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(dimethylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one is CN(C)c1nc(C(F)(F)F)cc(=O)[nH]1.
What is the InChIKey of 2-(dimethylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The InChIKey is CWLLGCJZWOJVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O/c1-13(2)6-11-4(7(8,9)10)3-5(14)12-6/h3H,1-2H3,(H,11,12,14).
What are the key properties of 2-(dimethylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one?
2-(dimethylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one has a molecular weight of 207.16 g/mol, XLogP of 0.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135472882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).