4,5-di(propan-2-yl)-2-(trifluoromethyl)pyrimidine

C11H15F3N2 — CID 58874449

IUPAC4,5-di(propan-2-yl)-2-(trifluoromethyl)pyrimidine
SMILESCC(C)c1cnc(C(F)(F)F)nc1C(C)C
InChIInChI=1S/C11H15F3N2/c1-6(2)8-5-15-10(11(12,13)14)16-9(8)7(3)4/h5-7H,1-4H3
InChIKeyMXYLIJGBHGMARV-UHFFFAOYSA-N
MW232.25 g/mol
LogP3.74
Rot. Bonds2

About 4,5-di(propan-2-yl)-2-(trifluoromethyl)pyrimidine

4,5-di(propan-2-yl)-2-(trifluoromethyl)pyrimidine (PubChem CID 58874449) has the molecular formula C11H15F3N2 and a molecular weight of 232.25 g/mol. Its IUPAC name is 4,5-di(propan-2-yl)-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4,5-di(propan-2-yl)-2-(trifluoromethyl)pyrimidine
PubChem CID58874449
Molecular FormulaC11H15F3N2
Molecular Weight232.25 g/mol
Exact Mass232.12
IUPAC Name4,5-di(propan-2-yl)-2-(trifluoromethyl)pyrimidine
SMILESCC(C)c1cnc(C(F)(F)F)nc1C(C)C
InChIInChI=1S/C11H15F3N2/c1-6(2)8-5-15-10(11(12,13)14)16-9(8)7(3)4/h5-7H,1-4H3
InChIKeyMXYLIJGBHGMARV-UHFFFAOYSA-N
XLogP3.74
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Cyclododecapyrimidine, 5,6,7,8,9,10,11,12,13,14-decahydro-
CID 78154
4-(3,3-Dimethylbutyl)-5-methylpyrimidin-2-amine
CID 122516777
2-Methyl-5,6-cyclopentapyrimidine
CID 160264
5,6,7,8-Tetrahydroquinazoline
CID 637537
2-(trifluoromethyl)-5H,6H,7H,8H-pyrido[4,3-d]pyrimidine
CID 53471483
5H,6H,7H,8H,9H-cyclohepta(d)pyrimidin-2-amine
CID 63547880
4-Isopropyl-N,N-dimethylpyrimidin-2-amine
CID 10820941
2,6-Dimethyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 12450593
6-Methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 12450595
2-Methyl-5,6,7,8,9,10,11,12,13,14-decahydrocyclododeca[d]pyrimidine
CID 12450612
4-Isobutylpyrimidine
CID 565104
6,7-dihydro-5H-cyclopenta(d)pyrimidine
CID 11829418

Frequently Asked Questions

What is the IUPAC name of 4,5-di(propan-2-yl)-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 4,5-di(propan-2-yl)-2-(trifluoromethyl)pyrimidine (CID 58874449) is 4,5-di(propan-2-yl)-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4,5-di(propan-2-yl)-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4,5-di(propan-2-yl)-2-(trifluoromethyl)pyrimidine is CC(C)c1cnc(C(F)(F)F)nc1C(C)C.
What is the InChIKey of 4,5-di(propan-2-yl)-2-(trifluoromethyl)pyrimidine?
The InChIKey is MXYLIJGBHGMARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2/c1-6(2)8-5-15-10(11(12,13)14)16-9(8)7(3)4/h5-7H,1-4H3.
What are the key properties of 4,5-di(propan-2-yl)-2-(trifluoromethyl)pyrimidine?
4,5-di(propan-2-yl)-2-(trifluoromethyl)pyrimidine has a molecular weight of 232.25 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-di(propan-2-yl)-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 58874449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).