6-methyl-4-(trifluoromethyl)-1,2-dihydropyrimidine

C6H7F3N2 — CID 121330088

IUPAC6-methyl-4-(trifluoromethyl)-1,2-dihydropyrimidine
SMILESCC1=CC(C(F)(F)F)=NCN1
InChIInChI=1S/C6H7F3N2/c1-4-2-5(6(7,8)9)11-3-10-4/h2,10H,3H2,1H3
InChIKeyDZSSKJCPFLSDRM-UHFFFAOYSA-N
MW164.13 g/mol
LogP1.45
Rot. Bonds

About 6-methyl-4-(trifluoromethyl)-1,2-dihydropyrimidine

6-methyl-4-(trifluoromethyl)-1,2-dihydropyrimidine (PubChem CID 121330088) has the molecular formula C6H7F3N2 and a molecular weight of 164.13 g/mol. Its IUPAC name is 6-methyl-4-(trifluoromethyl)-1,2-dihydropyrimidine.

Molecular Properties

Compound Name6-methyl-4-(trifluoromethyl)-1,2-dihydropyrimidine
PubChem CID121330088
Molecular FormulaC6H7F3N2
Molecular Weight164.13 g/mol
Exact Mass164.06
IUPAC Name6-methyl-4-(trifluoromethyl)-1,2-dihydropyrimidine
SMILESCC1=CC(C(F)(F)F)=NCN1
InChIInChI=1S/C6H7F3N2/c1-4-2-5(6(7,8)9)11-3-10-4/h2,10H,3H2,1H3
InChIKeyDZSSKJCPFLSDRM-UHFFFAOYSA-N
XLogP1.45
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.13
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-(trifluoromethyl)-1,2-dihydropyrimidine?
The IUPAC name of 6-methyl-4-(trifluoromethyl)-1,2-dihydropyrimidine (CID 121330088) is 6-methyl-4-(trifluoromethyl)-1,2-dihydropyrimidine.
What is the SMILES notation for 6-methyl-4-(trifluoromethyl)-1,2-dihydropyrimidine?
The canonical SMILES for 6-methyl-4-(trifluoromethyl)-1,2-dihydropyrimidine is CC1=CC(C(F)(F)F)=NCN1.
What is the InChIKey of 6-methyl-4-(trifluoromethyl)-1,2-dihydropyrimidine?
The InChIKey is DZSSKJCPFLSDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N2/c1-4-2-5(6(7,8)9)11-3-10-4/h2,10H,3H2,1H3.
What are the key properties of 6-methyl-4-(trifluoromethyl)-1,2-dihydropyrimidine?
6-methyl-4-(trifluoromethyl)-1,2-dihydropyrimidine has a molecular weight of 164.13 g/mol, XLogP of 1.45, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-(trifluoromethyl)-1,2-dihydropyrimidine is sourced from PubChem (CID 121330088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).