5-(2-methylpropyl)-2-(trifluoromethyl)-1,4,5,6-tetrahydropyrimidine

C9H15F3N2 — CID 91463804

IUPAC5-(2-methylpropyl)-2-(trifluoromethyl)-1,4,5,6-tetrahydropyrimidine
SMILESCC(C)CC1CN=C(C(F)(F)F)NC1
InChIInChI=1S/C9H15F3N2/c1-6(2)3-7-4-13-8(14-5-7)9(10,11)12/h6-7H,3-5H2,1-2H3,(H,13,14)
InChIKeyZMKKDPLAAPDBBZ-UHFFFAOYSA-N
MW208.23 g/mol
LogP2.21
Rot. Bonds2

About 5-(2-methylpropyl)-2-(trifluoromethyl)-1,4,5,6-tetrahydropyrimidine

5-(2-methylpropyl)-2-(trifluoromethyl)-1,4,5,6-tetrahydropyrimidine (PubChem CID 91463804) has the molecular formula C9H15F3N2 and a molecular weight of 208.23 g/mol. Its IUPAC name is 5-(2-methylpropyl)-2-(trifluoromethyl)-1,4,5,6-tetrahydropyrimidine.

Molecular Properties

Compound Name5-(2-methylpropyl)-2-(trifluoromethyl)-1,4,5,6-tetrahydropyrimidine
PubChem CID91463804
Molecular FormulaC9H15F3N2
Molecular Weight208.23 g/mol
Exact Mass208.12
IUPAC Name5-(2-methylpropyl)-2-(trifluoromethyl)-1,4,5,6-tetrahydropyrimidine
SMILESCC(C)CC1CN=C(C(F)(F)F)NC1
InChIInChI=1S/C9H15F3N2/c1-6(2)3-7-4-13-8(14-5-7)9(10,11)12/h6-7H,3-5H2,1-2H3,(H,13,14)
InChIKeyZMKKDPLAAPDBBZ-UHFFFAOYSA-N
XLogP2.21
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.23
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-2-(trifluoromethyl)-1,4,5,6-tetrahydropyrimidine?
The IUPAC name of 5-(2-methylpropyl)-2-(trifluoromethyl)-1,4,5,6-tetrahydropyrimidine (CID 91463804) is 5-(2-methylpropyl)-2-(trifluoromethyl)-1,4,5,6-tetrahydropyrimidine.
What is the SMILES notation for 5-(2-methylpropyl)-2-(trifluoromethyl)-1,4,5,6-tetrahydropyrimidine?
The canonical SMILES for 5-(2-methylpropyl)-2-(trifluoromethyl)-1,4,5,6-tetrahydropyrimidine is CC(C)CC1CN=C(C(F)(F)F)NC1.
What is the InChIKey of 5-(2-methylpropyl)-2-(trifluoromethyl)-1,4,5,6-tetrahydropyrimidine?
The InChIKey is ZMKKDPLAAPDBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2/c1-6(2)3-7-4-13-8(14-5-7)9(10,11)12/h6-7H,3-5H2,1-2H3,(H,13,14).
What are the key properties of 5-(2-methylpropyl)-2-(trifluoromethyl)-1,4,5,6-tetrahydropyrimidine?
5-(2-methylpropyl)-2-(trifluoromethyl)-1,4,5,6-tetrahydropyrimidine has a molecular weight of 208.23 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-2-(trifluoromethyl)-1,4,5,6-tetrahydropyrimidine is sourced from PubChem (CID 91463804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).