2-tert-butyl-5-(trifluoromethyl)pyrimidine

C9H11F3N2 — CID 21041240

IUPAC2-tert-butyl-5-(trifluoromethyl)pyrimidine
SMILESCC(C)(C)c1ncc(C(F)(F)F)cn1
InChIInChI=1S/C9H11F3N2/c1-8(2,3)7-13-4-6(5-14-7)9(10,11)12/h4-5H,1-3H3
InChIKeyBSHKUYWXFAKFLA-UHFFFAOYSA-N
MW204.19 g/mol
LogP2.79
Rot. Bonds

About 2-tert-butyl-5-(trifluoromethyl)pyrimidine

2-tert-butyl-5-(trifluoromethyl)pyrimidine (PubChem CID 21041240) has the molecular formula C9H11F3N2 and a molecular weight of 204.19 g/mol. Its IUPAC name is 2-tert-butyl-5-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-tert-butyl-5-(trifluoromethyl)pyrimidine
PubChem CID21041240
Molecular FormulaC9H11F3N2
Molecular Weight204.19 g/mol
Exact Mass204.09
IUPAC Name2-tert-butyl-5-(trifluoromethyl)pyrimidine
SMILESCC(C)(C)c1ncc(C(F)(F)F)cn1
InChIInChI=1S/C9H11F3N2/c1-8(2,3)7-13-4-6(5-14-7)9(10,11)12/h4-5H,1-3H3
InChIKeyBSHKUYWXFAKFLA-UHFFFAOYSA-N
XLogP2.79
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Amino-2-methyl-5-pyrimidinemethanamine
CID 66762
2,5-Dimethylpyrimidin-4-Amine
CID 445779
2-Chloro-5-(trifluoromethyl)pyrimidine
CID 13317019
5-Methylpyrimidine
CID 74859
4-N-(2,2-dimethylpropyl)-5-methylpyrimidine-2,4-diamine
CID 80798438
4-N-(2,2-dimethylpropyl)-4-N,5-dimethylpyrimidine-2,4-diamine
CID 80818780
5-Methylpyrimidin-4-amine
CID 21719209
2-Chloro-5-methylpyrimidine
CID 581719
Aminomethylpyrimidine
CID 6946837
4-Amino-2-(heptafluoropropyl)pyrimidine-5-carbonitrile
CID 86614626
Pyrimidine, 2-chloro-4-(dimethylamino)-5-methyl-
CID 214763
Pyrimidine, 2-(1,1-dimethylethyl)-
CID 94597

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-tert-butyl-5-(trifluoromethyl)pyrimidine (CID 21041240) is 2-tert-butyl-5-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-tert-butyl-5-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-tert-butyl-5-(trifluoromethyl)pyrimidine is CC(C)(C)c1ncc(C(F)(F)F)cn1.
What is the InChIKey of 2-tert-butyl-5-(trifluoromethyl)pyrimidine?
The InChIKey is BSHKUYWXFAKFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2/c1-8(2,3)7-13-4-6(5-14-7)9(10,11)12/h4-5H,1-3H3.
What are the key properties of 2-tert-butyl-5-(trifluoromethyl)pyrimidine?
2-tert-butyl-5-(trifluoromethyl)pyrimidine has a molecular weight of 204.19 g/mol, XLogP of 2.79, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 21041240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).