2,3-dimethyl-4-methylidenepyrido[1,2-a]pyrimidine

C11H12N2 — CID 54479691

IUPAC2,3-dimethyl-4-methylidenepyrido[1,2-a]pyrimidine
SMILESC=C1C(C)=C(C)N=C2C=CC=CN12
InChIInChI=1S/C11H12N2/c1-8-9(2)12-11-6-4-5-7-13(11)10(8)3/h4-7H,3H2,1-2H3
InChIKeyXODFASIMZOXUPN-UHFFFAOYSA-N
MW172.23 g/mol
LogP2.59
Rot. Bonds

About 2,3-dimethyl-4-methylidenepyrido[1,2-a]pyrimidine

2,3-dimethyl-4-methylidenepyrido[1,2-a]pyrimidine (PubChem CID 54479691) has the molecular formula C11H12N2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 2,3-dimethyl-4-methylidenepyrido[1,2-a]pyrimidine.

Molecular Properties

Compound Name2,3-dimethyl-4-methylidenepyrido[1,2-a]pyrimidine
PubChem CID54479691
Molecular FormulaC11H12N2
Molecular Weight172.23 g/mol
Exact Mass172.10
IUPAC Name2,3-dimethyl-4-methylidenepyrido[1,2-a]pyrimidine
SMILESC=C1C(C)=C(C)N=C2C=CC=CN12
InChIInChI=1S/C11H12N2/c1-8-9(2)12-11-6-4-5-7-13(11)10(8)3/h4-7H,3H2,1-2H3
InChIKeyXODFASIMZOXUPN-UHFFFAOYSA-N
XLogP2.59
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 52.59
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
2,7-dimethyl-4H-pyrido[1,2-a]pyrimidine-4-thione
CID 16456850
Pyrido[1,2-a]pyrimidine
CID 20094215
3,4-Dihydro-2h-pyrido[1,2-a]pyrimidine
CID 21111582
4-Methyl-4h-pyrido[1,2-a]pyrimidine
CID 129791993
2,13-Diazatricyclo[7.3.1.05,13]trideca-1,3,5,7,9,11-hexaene
CID 135082283
4,9-dimethyl-2,2-bis(trifluoromethyl)-2H-pyrido[1,2-a][1,3,5]triazine
CID 5147575
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
3-fluoro-N,4-dimethyl-1-prop-1-en-2-ylpyridin-2-imine
CID 172576159
7-Ethyl-4-methylidene-2-(trifluoromethyl)pyrido[1,2-a]pyrimidine
CID 156746973
7-butyl-4H-pyrido[1,2-a]pyrimidine
CID 20348005

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-4-methylidenepyrido[1,2-a]pyrimidine?
The IUPAC name of 2,3-dimethyl-4-methylidenepyrido[1,2-a]pyrimidine (CID 54479691) is 2,3-dimethyl-4-methylidenepyrido[1,2-a]pyrimidine.
What is the SMILES notation for 2,3-dimethyl-4-methylidenepyrido[1,2-a]pyrimidine?
The canonical SMILES for 2,3-dimethyl-4-methylidenepyrido[1,2-a]pyrimidine is C=C1C(C)=C(C)N=C2C=CC=CN12.
What is the InChIKey of 2,3-dimethyl-4-methylidenepyrido[1,2-a]pyrimidine?
The InChIKey is XODFASIMZOXUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2/c1-8-9(2)12-11-6-4-5-7-13(11)10(8)3/h4-7H,3H2,1-2H3.
What are the key properties of 2,3-dimethyl-4-methylidenepyrido[1,2-a]pyrimidine?
2,3-dimethyl-4-methylidenepyrido[1,2-a]pyrimidine has a molecular weight of 172.23 g/mol, XLogP of 2.59, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-4-methylidenepyrido[1,2-a]pyrimidine is sourced from PubChem (CID 54479691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).