2-methyl-5-propan-2-ylpyrimidine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine

C16H21F3N4 — CID 159606910

IUPAC2-methyl-5-propan-2-ylpyrimidine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine
SMILESCC(C)c1cnc(C(F)(F)F)nc1.Cc1ncc(C(C)C)cn1
InChIInChI=1S/C8H9F3N2.C8H12N2/c1-5(2)6-3-12-7(13-4-6)8(9,10)11;1-6(2)8-4-9-7(3)10-5-8/h3-5H,1-2H3;4-6H,1-3H3
InChIKeyMMERALQXJBJWRI-UHFFFAOYSA-N
MW326.37 g/mol
LogP4.53
Rot. Bonds2

About 2-methyl-5-propan-2-ylpyrimidine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine

2-methyl-5-propan-2-ylpyrimidine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine (PubChem CID 159606910) has the molecular formula C16H21F3N4 and a molecular weight of 326.37 g/mol. Its IUPAC name is 2-methyl-5-propan-2-ylpyrimidine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-methyl-5-propan-2-ylpyrimidine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine
PubChem CID159606910
Molecular FormulaC16H21F3N4
Molecular Weight326.37 g/mol
Exact Mass326.17
IUPAC Name2-methyl-5-propan-2-ylpyrimidine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine
SMILESCC(C)c1cnc(C(F)(F)F)nc1.Cc1ncc(C(C)C)cn1
InChIInChI=1S/C8H9F3N2.C8H12N2/c1-5(2)6-3-12-7(13-4-6)8(9,10)11;1-6(2)8-4-9-7(3)10-5-8/h3-5H,1-2H3;4-6H,1-3H3
InChIKeyMMERALQXJBJWRI-UHFFFAOYSA-N
XLogP4.53
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(R)-2-methyl-N-[(1S)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]propane-2-sulfinamide
CID 121397426
ethane;2-fluoro-5-propan-2-ylpyrimidine
CID 178173609
5-[1-(4,4-difluorocyclohexyl)ethyl]-2-(trifluoromethyl)pyrimidine
CID 141403683
2-methyl-4-propan-2-yl-5-(trifluoromethyl)pyrimidine
CID 139481004
2-amino-2-[2-(trifluoromethyl)pyrimidin-5-yl]acetic acid
CID 82392538
1-[2-(trifluoromethyl)pyrimidin-5-yl]prop-2-yn-1-ol
CID 141463807
methane;2-methyl-5-propan-2-ylpyrimidine;4-propan-2-ylpyridin-2-amine
CID 158182176
4-bromo-1-[2-(trifluoromethyl)pyrimidin-5-yl]butane-1,2-diol
CID 171892373
5-(dibromomethyl)-2-methylpyrimidine
CID 153358467
2-tert-butyl-3-methyl-5-propan-2-ylpyridine
CID 134415008
N-[1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]benzamide
CID 155435154
1-(5-propan-2-ylpyrimidin-2-yl)ethanone
CID 83914336

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-propan-2-ylpyrimidine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-methyl-5-propan-2-ylpyrimidine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine (CID 159606910) is 2-methyl-5-propan-2-ylpyrimidine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-methyl-5-propan-2-ylpyrimidine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-methyl-5-propan-2-ylpyrimidine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine is CC(C)c1cnc(C(F)(F)F)nc1.Cc1ncc(C(C)C)cn1.
What is the InChIKey of 2-methyl-5-propan-2-ylpyrimidine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine?
The InChIKey is MMERALQXJBJWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2.C8H12N2/c1-5(2)6-3-12-7(13-4-6)8(9,10)11;1-6(2)8-4-9-7(3)10-5-8/h3-5H,1-2H3;4-6H,1-3H3.
What are the key properties of 2-methyl-5-propan-2-ylpyrimidine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine?
2-methyl-5-propan-2-ylpyrimidine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine has a molecular weight of 326.37 g/mol, XLogP of 4.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-propan-2-ylpyrimidine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 159606910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).