2,6-dimethyl-N-[4-(trifluoromethoxy)-2-pyridinyl]pyrimidin-4-amine

C12H11F3N4O — CID 163629227

IUPAC2,6-dimethyl-N-[4-(trifluoromethoxy)-2-pyridinyl]pyrimidin-4-amine
SMILESCc1cc(Nc2cc(OC(F)(F)F)ccn2)nc(C)n1
InChIInChI=1S/C12H11F3N4O/c1-7-5-11(18-8(2)17-7)19-10-6-9(3-4-16-10)20-12(13,14)15/h3-6H,1-2H3,(H,16,17,18,19)
InChIKeyHUPZNABHQHPMAD-UHFFFAOYSA-N
MW284.24 g/mol
LogP3.13
Rot. Bonds3

About 2,6-dimethyl-N-[4-(trifluoromethoxy)-2-pyridinyl]pyrimidin-4-amine

2,6-dimethyl-N-[4-(trifluoromethoxy)-2-pyridinyl]pyrimidin-4-amine (PubChem CID 163629227) has the molecular formula C12H11F3N4O and a molecular weight of 284.24 g/mol. Its IUPAC name is 2,6-dimethyl-N-[4-(trifluoromethoxy)-2-pyridinyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2,6-dimethyl-N-[4-(trifluoromethoxy)-2-pyridinyl]pyrimidin-4-amine
PubChem CID163629227
Molecular FormulaC12H11F3N4O
Molecular Weight284.24 g/mol
Exact Mass284.09
IUPAC Name2,6-dimethyl-N-[4-(trifluoromethoxy)-2-pyridinyl]pyrimidin-4-amine
SMILESCc1cc(Nc2cc(OC(F)(F)F)ccn2)nc(C)n1
InChIInChI=1S/C12H11F3N4O/c1-7-5-11(18-8(2)17-7)19-10-6-9(3-4-16-10)20-12(13,14)15/h3-6H,1-2H3,(H,16,17,18,19)
InChIKeyHUPZNABHQHPMAD-UHFFFAOYSA-N
XLogP3.13
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-methyl-6-[[4-(trifluoromethoxy)-2-pyridinyl]amino]pyridine-2-carboxylate
CID 162721731
6-N,2-dimethyl-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine
CID 80729894
1-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 122317122
2-ethyl-4-(trifluoromethoxy)pyridine
CID 166104066
1-methyl-6-(trifluoromethoxy)isoquinoline
CID 91053898
1-[2-[2-(4-methylsulfanylphenyl)-6-[[4-(trifluoromethoxy)-2-pyridinyl]amino]pyrimidin-4-yl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone
CID 166713479
6-(2-azaspiro[4.5]decan-2-yl)-2-pyridin-3-yl-N-[4-(trifluoromethoxy)-2-pyridinyl]pyrimidin-4-amine
CID 166713273
[(2S)-2-ethyl-5,5-difluoropiperidin-1-yl]-[3-fluoro-6-[[4-(trifluoromethoxy)-2-pyridinyl]amino]-2-pyridinyl]methanone
CID 170192188
ethyl 2-[2-chloro-6-[[4-(trifluoromethoxy)-2-pyridinyl]amino]pyrimidin-4-yl]-2-azaspiro[4.5]decane-7-carboxylate
CID 166061369
4-[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide
CID 122349864
1-[2-[6-chloro-2-[[4-(trifluoromethoxy)-2-pyridinyl]amino]pyrimidin-4-yl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone
CID 166061265
1-[8-[2-pyridin-3-yl-6-[[4-(trifluoromethoxy)-2-pyridinyl]amino]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone
CID 166713230

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-[4-(trifluoromethoxy)-2-pyridinyl]pyrimidin-4-amine?
The IUPAC name of 2,6-dimethyl-N-[4-(trifluoromethoxy)-2-pyridinyl]pyrimidin-4-amine (CID 163629227) is 2,6-dimethyl-N-[4-(trifluoromethoxy)-2-pyridinyl]pyrimidin-4-amine.
What is the SMILES notation for 2,6-dimethyl-N-[4-(trifluoromethoxy)-2-pyridinyl]pyrimidin-4-amine?
The canonical SMILES for 2,6-dimethyl-N-[4-(trifluoromethoxy)-2-pyridinyl]pyrimidin-4-amine is Cc1cc(Nc2cc(OC(F)(F)F)ccn2)nc(C)n1.
What is the InChIKey of 2,6-dimethyl-N-[4-(trifluoromethoxy)-2-pyridinyl]pyrimidin-4-amine?
The InChIKey is HUPZNABHQHPMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4O/c1-7-5-11(18-8(2)17-7)19-10-6-9(3-4-16-10)20-12(13,14)15/h3-6H,1-2H3,(H,16,17,18,19).
What are the key properties of 2,6-dimethyl-N-[4-(trifluoromethoxy)-2-pyridinyl]pyrimidin-4-amine?
2,6-dimethyl-N-[4-(trifluoromethoxy)-2-pyridinyl]pyrimidin-4-amine has a molecular weight of 284.24 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-[4-(trifluoromethoxy)-2-pyridinyl]pyrimidin-4-amine is sourced from PubChem (CID 163629227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).