ethane;7-ethyl-4-methylidene-2-(trifluoromethyl)pyrido[1,2-a]pyrimidine

C14H17F3N2 — CID 156746972

IUPACethane;7-ethyl-4-methylidene-2-(trifluoromethyl)pyrido[1,2-a]pyrimidine
SMILESC=C1C=C(C(F)(F)F)N=C2C=CC(CC)=CN12.CC
InChIInChI=1S/C12H11F3N2.C2H6/c1-3-9-4-5-11-16-10(12(13,14)15)6-8(2)17(11)7-9;1-2/h4-7H,2-3H2,1H3;1-2H3
InChIKeyAGIVMYGFVDHKHH-UHFFFAOYSA-N
MW270.30 g/mol
LogP4.55
Rot. Bonds1

About ethane;7-ethyl-4-methylidene-2-(trifluoromethyl)pyrido[1,2-a]pyrimidine

ethane;7-ethyl-4-methylidene-2-(trifluoromethyl)pyrido[1,2-a]pyrimidine (PubChem CID 156746972) has the molecular formula C14H17F3N2 and a molecular weight of 270.30 g/mol. Its IUPAC name is ethane;7-ethyl-4-methylidene-2-(trifluoromethyl)pyrido[1,2-a]pyrimidine.

Molecular Properties

Compound Nameethane;7-ethyl-4-methylidene-2-(trifluoromethyl)pyrido[1,2-a]pyrimidine
PubChem CID156746972
Molecular FormulaC14H17F3N2
Molecular Weight270.30 g/mol
Exact Mass270.13
IUPAC Nameethane;7-ethyl-4-methylidene-2-(trifluoromethyl)pyrido[1,2-a]pyrimidine
SMILESC=C1C=C(C(F)(F)F)N=C2C=CC(CC)=CN12.CC
InChIInChI=1S/C12H11F3N2.C2H6/c1-3-9-4-5-11-16-10(12(13,14)15)6-8(2)17(11)7-9;1-2/h4-7H,2-3H2,1H3;1-2H3
InChIKeyAGIVMYGFVDHKHH-UHFFFAOYSA-N
XLogP4.55
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,8-dimethyl-2,2-bis(trifluoromethyl)-2H-pyrido[1,2-a][1,3,5]triazine
CID 6624631
8-(Trifluoromethyl)-5a,9a-dihydropyrido[1,2-a]benzimidazole
CID 134852078
4,7-Dimethyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine
CID 17390122
3-bromo-2-butyl-8-(trifluoromethyl)-4H-pyrido[1,2-a]pyrimidine
CID 141214871
1-ethenyl-N-methyl-5-(trifluoromethyl)pyridin-2-imine
CID 146477817
1-(trifluoromethyl)-1H-pyrido[2,1-b]quinazoline
CID 149959570
(2E,4Z,6E)-N-[[3-[(1E,3E)-2-ethenyl-3-methylhexa-1,3-dienyl]-2-methyl-4H-pyrimidin-6-yl]methyl]-7-fluoro-N-methylhepta-2,4,6-trien-3-amine
CID 156544884
N-methyl-1-prop-1-en-2-yl-4-(trifluoromethyl)pyridin-2-imine
CID 156651505
3-fluoro-N,4-dimethyl-1-prop-1-en-2-ylpyridin-2-imine
CID 172576159
1-[3-bromo-2-(trifluoromethyl)-4H-pyrido[1,2-a]pyrimidin-7-yl]-N,N-dimethylmethanamine
CID 177778358
2,4-Difluoro-4-(1,1,2,2,2-pentafluoroethyl)-3-(trifluoromethyl)pyrido[1,2-a]pyrimidine
CID 101033013
1-methyl-N-prop-1-en-2-yl-4-(trifluoromethyl)pyridin-2-imine
CID 143911527

Frequently Asked Questions

What is the IUPAC name of ethane;7-ethyl-4-methylidene-2-(trifluoromethyl)pyrido[1,2-a]pyrimidine?
The IUPAC name of ethane;7-ethyl-4-methylidene-2-(trifluoromethyl)pyrido[1,2-a]pyrimidine (CID 156746972) is ethane;7-ethyl-4-methylidene-2-(trifluoromethyl)pyrido[1,2-a]pyrimidine.
What is the SMILES notation for ethane;7-ethyl-4-methylidene-2-(trifluoromethyl)pyrido[1,2-a]pyrimidine?
The canonical SMILES for ethane;7-ethyl-4-methylidene-2-(trifluoromethyl)pyrido[1,2-a]pyrimidine is C=C1C=C(C(F)(F)F)N=C2C=CC(CC)=CN12.CC.
What is the InChIKey of ethane;7-ethyl-4-methylidene-2-(trifluoromethyl)pyrido[1,2-a]pyrimidine?
The InChIKey is AGIVMYGFVDHKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2.C2H6/c1-3-9-4-5-11-16-10(12(13,14)15)6-8(2)17(11)7-9;1-2/h4-7H,2-3H2,1H3;1-2H3.
What are the key properties of ethane;7-ethyl-4-methylidene-2-(trifluoromethyl)pyrido[1,2-a]pyrimidine?
ethane;7-ethyl-4-methylidene-2-(trifluoromethyl)pyrido[1,2-a]pyrimidine has a molecular weight of 270.30 g/mol, XLogP of 4.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-ethyl-4-methylidene-2-(trifluoromethyl)pyrido[1,2-a]pyrimidine is sourced from PubChem (CID 156746972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).