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

C12H11F3N2 — CID 156746973

IUPAC7-ethyl-4-methylidene-2-(trifluoromethyl)pyrido[1,2-a]pyrimidine
SMILESC=C1C=C(C(F)(F)F)N=C2C=CC(CC)=CN12
InChIInChI=1S/C12H11F3N2/c1-3-9-4-5-11-16-10(12(13,14)15)6-8(2)17(11)7-9/h4-7H,2-3H2,1H3
InChIKeyGZOUXIPMLZNBLW-UHFFFAOYSA-N
MW240.23 g/mol
LogP3.52
Rot. Bonds1

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

7-ethyl-4-methylidene-2-(trifluoromethyl)pyrido[1,2-a]pyrimidine (PubChem CID 156746973) has the molecular formula C12H11F3N2 and a molecular weight of 240.23 g/mol. Its IUPAC name is 7-ethyl-4-methylidene-2-(trifluoromethyl)pyrido[1,2-a]pyrimidine.

Molecular Properties

Compound Name7-ethyl-4-methylidene-2-(trifluoromethyl)pyrido[1,2-a]pyrimidine
PubChem CID156746973
Molecular FormulaC12H11F3N2
Molecular Weight240.23 g/mol
Exact Mass240.09
IUPAC Name7-ethyl-4-methylidene-2-(trifluoromethyl)pyrido[1,2-a]pyrimidine
SMILESC=C1C=C(C(F)(F)F)N=C2C=CC(CC)=CN12
InChIInChI=1S/C12H11F3N2/c1-3-9-4-5-11-16-10(12(13,14)15)6-8(2)17(11)7-9/h4-7H,2-3H2,1H3
InChIKeyGZOUXIPMLZNBLW-UHFFFAOYSA-N
XLogP3.52
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.23
LogP ≤ 53.52
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
4-ethyl-6,8-dimethyl-2,2-bis(trifluoromethyl)-2H-pyrido[1,2-a][1,3,5]triazine
CID 571892
8-(Trifluoromethyl)-5a,9a-dihydropyrido[1,2-a]benzimidazole
CID 134852078
4,9-dimethyl-2,2-bis(trifluoromethyl)-2H-pyrido[1,2-a][1,3,5]triazine
CID 5147575
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-ethenyl-N-methyl-4-(trifluoromethyl)pyridin-2-imine
CID 146507514
1-(trifluoromethyl)-1H-pyrido[2,1-b]quinazoline
CID 149959570
2-(trifluoromethyl)-4H-pyrido[1,2-a]pyrimidine-8-carbonitrile
CID 156409654
N-methyl-1-prop-1-en-2-yl-4-(trifluoromethyl)pyridin-2-imine
CID 156651505
Ethane;7-ethyl-4-methylidene-2-(trifluoromethyl)pyrido[1,2-a]pyrimidine
CID 156746972

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-4-methylidene-2-(trifluoromethyl)pyrido[1,2-a]pyrimidine?
The IUPAC name of 7-ethyl-4-methylidene-2-(trifluoromethyl)pyrido[1,2-a]pyrimidine (CID 156746973) is 7-ethyl-4-methylidene-2-(trifluoromethyl)pyrido[1,2-a]pyrimidine.
What is the SMILES notation for 7-ethyl-4-methylidene-2-(trifluoromethyl)pyrido[1,2-a]pyrimidine?
The canonical SMILES for 7-ethyl-4-methylidene-2-(trifluoromethyl)pyrido[1,2-a]pyrimidine is C=C1C=C(C(F)(F)F)N=C2C=CC(CC)=CN12.
What is the InChIKey of 7-ethyl-4-methylidene-2-(trifluoromethyl)pyrido[1,2-a]pyrimidine?
The InChIKey is GZOUXIPMLZNBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2/c1-3-9-4-5-11-16-10(12(13,14)15)6-8(2)17(11)7-9/h4-7H,2-3H2,1H3.
What are the key properties of 7-ethyl-4-methylidene-2-(trifluoromethyl)pyrido[1,2-a]pyrimidine?
7-ethyl-4-methylidene-2-(trifluoromethyl)pyrido[1,2-a]pyrimidine has a molecular weight of 240.23 g/mol, XLogP of 3.52, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-4-methylidene-2-(trifluoromethyl)pyrido[1,2-a]pyrimidine is sourced from PubChem (CID 156746973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).