(4-methylpyrimidin-5-yl)-[4-(trifluoromethyl)pyrimidin-5-yl]methanone

C11H7F3N4O — CID 19702790

IUPAC(4-methylpyrimidin-5-yl)-[4-(trifluoromethyl)pyrimidin-5-yl]methanone
SMILESCc1ncncc1C(=O)c1cncnc1C(F)(F)F
InChIInChI=1S/C11H7F3N4O/c1-6-7(2-15-4-17-6)9(19)8-3-16-5-18-10(8)11(12,13)14/h2-5H,1H3
InChIKeyHMCOKOYAHWJNPZ-UHFFFAOYSA-N
MW268.20 g/mol
LogP1.82
Rot. Bonds2

About (4-methylpyrimidin-5-yl)-[4-(trifluoromethyl)pyrimidin-5-yl]methanone

(4-methylpyrimidin-5-yl)-[4-(trifluoromethyl)pyrimidin-5-yl]methanone (PubChem CID 19702790) has the molecular formula C11H7F3N4O and a molecular weight of 268.20 g/mol. Its IUPAC name is (4-methylpyrimidin-5-yl)-[4-(trifluoromethyl)pyrimidin-5-yl]methanone.

Molecular Properties

Compound Name(4-methylpyrimidin-5-yl)-[4-(trifluoromethyl)pyrimidin-5-yl]methanone
PubChem CID19702790
Molecular FormulaC11H7F3N4O
Molecular Weight268.20 g/mol
Exact Mass268.06
IUPAC Name(4-methylpyrimidin-5-yl)-[4-(trifluoromethyl)pyrimidin-5-yl]methanone
SMILESCc1ncncc1C(=O)c1cncnc1C(F)(F)F
InChIInChI=1S/C11H7F3N4O/c1-6-7(2-15-4-17-6)9(19)8-3-16-5-18-10(8)11(12,13)14/h2-5H,1H3
InChIKeyHMCOKOYAHWJNPZ-UHFFFAOYSA-N
XLogP1.82
TPSA68.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.20
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-methylpyrimidin-5-yl)-[4-(trifluoromethyl)pyrimidin-5-yl]methanone?
The IUPAC name of (4-methylpyrimidin-5-yl)-[4-(trifluoromethyl)pyrimidin-5-yl]methanone (CID 19702790) is (4-methylpyrimidin-5-yl)-[4-(trifluoromethyl)pyrimidin-5-yl]methanone.
What is the SMILES notation for (4-methylpyrimidin-5-yl)-[4-(trifluoromethyl)pyrimidin-5-yl]methanone?
The canonical SMILES for (4-methylpyrimidin-5-yl)-[4-(trifluoromethyl)pyrimidin-5-yl]methanone is Cc1ncncc1C(=O)c1cncnc1C(F)(F)F.
What is the InChIKey of (4-methylpyrimidin-5-yl)-[4-(trifluoromethyl)pyrimidin-5-yl]methanone?
The InChIKey is HMCOKOYAHWJNPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N4O/c1-6-7(2-15-4-17-6)9(19)8-3-16-5-18-10(8)11(12,13)14/h2-5H,1H3.
What are the key properties of (4-methylpyrimidin-5-yl)-[4-(trifluoromethyl)pyrimidin-5-yl]methanone?
(4-methylpyrimidin-5-yl)-[4-(trifluoromethyl)pyrimidin-5-yl]methanone has a molecular weight of 268.20 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpyrimidin-5-yl)-[4-(trifluoromethyl)pyrimidin-5-yl]methanone is sourced from PubChem (CID 19702790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).