6-[4-ethoxy-6-(trifluoromethyl)pyrimidin-2-yl]pyridin-3-amine

C12H11F3N4O — CID 25184848

IUPAC6-[4-ethoxy-6-(trifluoromethyl)pyrimidin-2-yl]pyridin-3-amine
SMILESCCOc1cc(C(F)(F)F)nc(-c2ccc(N)cn2)n1
InChIInChI=1S/C12H11F3N4O/c1-2-20-10-5-9(12(13,14)15)18-11(19-10)8-4-3-7(16)6-17-8/h3-6H,2,16H2,1H3
InChIKeyZRCWDDPTQHZGHR-UHFFFAOYSA-N
MW284.24 g/mol
LogP2.54
Rot. Bonds3

About 6-[4-ethoxy-6-(trifluoromethyl)pyrimidin-2-yl]pyridin-3-amine

6-[4-ethoxy-6-(trifluoromethyl)pyrimidin-2-yl]pyridin-3-amine (PubChem CID 25184848) has the molecular formula C12H11F3N4O and a molecular weight of 284.24 g/mol. Its IUPAC name is 6-[4-ethoxy-6-(trifluoromethyl)pyrimidin-2-yl]pyridin-3-amine.

Molecular Properties

Compound Name6-[4-ethoxy-6-(trifluoromethyl)pyrimidin-2-yl]pyridin-3-amine
PubChem CID25184848
Molecular FormulaC12H11F3N4O
Molecular Weight284.24 g/mol
Exact Mass284.09
IUPAC Name6-[4-ethoxy-6-(trifluoromethyl)pyrimidin-2-yl]pyridin-3-amine
SMILESCCOc1cc(C(F)(F)F)nc(-c2ccc(N)cn2)n1
InChIInChI=1S/C12H11F3N4O/c1-2-20-10-5-9(12(13,14)15)18-11(19-10)8-4-3-7(16)6-17-8/h3-6H,2,16H2,1H3
InChIKeyZRCWDDPTQHZGHR-UHFFFAOYSA-N
XLogP2.54
TPSA73.92 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 ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

9-[[4-[2,2-Bis(fluoranyl)ethoxy]pyridin-2-yl]methyl]-2-chloranyl-purin-6-amine
CID 156587313
9-[(1~{S})-1-[4-[2,2-bis(fluoranyl)ethoxy]pyridin-2-yl]ethyl]-2-chloranyl-purin-6-amine
CID 156587314
4-(3-Methoxyanilino)-2-(2-pyridinyl)-6-(trifluoromethyl)pyrimidine
CID 9950111
6-(3-(6-Methoxypyridin-3-ylamino)pyrazin-2-yl)-2-methylpyrimidin-4-amine
CID 59548402
3-(3-Aminopropoxy)-5-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carbonitrile
CID 150997095
4-[3-[(6-Methoxy-3-pyridinyl)amino]-2-pyridinyl]-6-methyl-1,3,5-triazin-2-amine
CID 60155087
2-Chloro-9-[1-[4-(2,2-difluoroethoxy)-2-pyridinyl]ethyl]purin-6-amine
CID 162653750
Methyl 2-(2-pyridinyl)-6-(trifluoromethyl)-4-pyrimidinyl ether
CID 1475334
N-(6-(4-(allyloxy)-5-ethyl-6-methylpyrimidin-2-yl)pyridin-3-yl)-2-chloroacetamide
CID 25154309
N-(6-(4-(allyloxy)-5-chloro-6-methylpyrimidin-2-yl)pyridin-3-yl)-2-chloroacetamide
CID 25184849
2-Chloro-N-(6-(4-methoxy-6-(trifluoromethyl)pyrimidin-2-yl)pyridin-3yl)acetamide
CID 25184910
N-(6-(4-(allyloxy)-6-(trifluoromethyl)pyrimidin-2-yl)pyridin-3-yl)-2-chloroacetamide
CID 25184911

Frequently Asked Questions

What is the IUPAC name of 6-[4-ethoxy-6-(trifluoromethyl)pyrimidin-2-yl]pyridin-3-amine?
The IUPAC name of 6-[4-ethoxy-6-(trifluoromethyl)pyrimidin-2-yl]pyridin-3-amine (CID 25184848) is 6-[4-ethoxy-6-(trifluoromethyl)pyrimidin-2-yl]pyridin-3-amine.
What is the SMILES notation for 6-[4-ethoxy-6-(trifluoromethyl)pyrimidin-2-yl]pyridin-3-amine?
The canonical SMILES for 6-[4-ethoxy-6-(trifluoromethyl)pyrimidin-2-yl]pyridin-3-amine is CCOc1cc(C(F)(F)F)nc(-c2ccc(N)cn2)n1.
What is the InChIKey of 6-[4-ethoxy-6-(trifluoromethyl)pyrimidin-2-yl]pyridin-3-amine?
The InChIKey is ZRCWDDPTQHZGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4O/c1-2-20-10-5-9(12(13,14)15)18-11(19-10)8-4-3-7(16)6-17-8/h3-6H,2,16H2,1H3.
What are the key properties of 6-[4-ethoxy-6-(trifluoromethyl)pyrimidin-2-yl]pyridin-3-amine?
6-[4-ethoxy-6-(trifluoromethyl)pyrimidin-2-yl]pyridin-3-amine has a molecular weight of 284.24 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-ethoxy-6-(trifluoromethyl)pyrimidin-2-yl]pyridin-3-amine is sourced from PubChem (CID 25184848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).