2-[2-(2,3-difluorophenyl)ethyl]-6-methyl-4-methylidenepyrido[1,2-a]pyrimidine

C18H16F2N2 — CID 89000954

IUPAC2-[2-(2,3-difluorophenyl)ethyl]-6-methyl-4-methylidenepyrido[1,2-a]pyrimidine
SMILESC=C1C=C(CCc2cccc(F)c2F)N=C2C=CC=C(C)N12
InChIInChI=1S/C18H16F2N2/c1-12-5-3-8-17-21-15(11-13(2)22(12)17)10-9-14-6-4-7-16(19)18(14)20/h3-8,11H,2,9-10H2,1H3
InChIKeyHAPZMIBQJFOBNI-UHFFFAOYSA-N
MW298.34 g/mol
LogP4.48
Rot. Bonds3

About 2-[2-(2,3-difluorophenyl)ethyl]-6-methyl-4-methylidenepyrido[1,2-a]pyrimidine

2-[2-(2,3-difluorophenyl)ethyl]-6-methyl-4-methylidenepyrido[1,2-a]pyrimidine (PubChem CID 89000954) has the molecular formula C18H16F2N2 and a molecular weight of 298.34 g/mol. Its IUPAC name is 2-[2-(2,3-difluorophenyl)ethyl]-6-methyl-4-methylidenepyrido[1,2-a]pyrimidine.

Molecular Properties

Compound Name2-[2-(2,3-difluorophenyl)ethyl]-6-methyl-4-methylidenepyrido[1,2-a]pyrimidine
PubChem CID89000954
Molecular FormulaC18H16F2N2
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name2-[2-(2,3-difluorophenyl)ethyl]-6-methyl-4-methylidenepyrido[1,2-a]pyrimidine
SMILESC=C1C=C(CCc2cccc(F)c2F)N=C2C=CC=C(C)N12
InChIInChI=1S/C18H16F2N2/c1-12-5-3-8-17-21-15(11-13(2)22(12)17)10-9-14-6-4-7-16(19)18(14)20/h3-8,11H,2,9-10H2,1H3
InChIKeyHAPZMIBQJFOBNI-UHFFFAOYSA-N
XLogP4.48
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3-difluorophenyl)ethyl]-6-methyl-4-methylidenepyrido[1,2-a]pyrimidine?
The IUPAC name of 2-[2-(2,3-difluorophenyl)ethyl]-6-methyl-4-methylidenepyrido[1,2-a]pyrimidine (CID 89000954) is 2-[2-(2,3-difluorophenyl)ethyl]-6-methyl-4-methylidenepyrido[1,2-a]pyrimidine.
What is the SMILES notation for 2-[2-(2,3-difluorophenyl)ethyl]-6-methyl-4-methylidenepyrido[1,2-a]pyrimidine?
The canonical SMILES for 2-[2-(2,3-difluorophenyl)ethyl]-6-methyl-4-methylidenepyrido[1,2-a]pyrimidine is C=C1C=C(CCc2cccc(F)c2F)N=C2C=CC=C(C)N12.
What is the InChIKey of 2-[2-(2,3-difluorophenyl)ethyl]-6-methyl-4-methylidenepyrido[1,2-a]pyrimidine?
The InChIKey is HAPZMIBQJFOBNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N2/c1-12-5-3-8-17-21-15(11-13(2)22(12)17)10-9-14-6-4-7-16(19)18(14)20/h3-8,11H,2,9-10H2,1H3.
What are the key properties of 2-[2-(2,3-difluorophenyl)ethyl]-6-methyl-4-methylidenepyrido[1,2-a]pyrimidine?
2-[2-(2,3-difluorophenyl)ethyl]-6-methyl-4-methylidenepyrido[1,2-a]pyrimidine has a molecular weight of 298.34 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3-difluorophenyl)ethyl]-6-methyl-4-methylidenepyrido[1,2-a]pyrimidine is sourced from PubChem (CID 89000954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).