3,7-dimethyl-2H-pyrido[1,2-a]pyrimidine;ethane

C12H18N2 — CID 143545408

IUPAC3,7-dimethyl-2H-pyrido[1,2-a]pyrimidine;ethane
SMILESCC.CC1=CN2C=C(C)CN=C2C=C1
InChIInChI=1S/C10H12N2.C2H6/c1-8-3-4-10-11-5-9(2)7-12(10)6-8;1-2/h3-4,6-7H,5H2,1-2H3;1-2H3
InChIKeyGAKLBXUSNKKIOR-UHFFFAOYSA-N
MW190.29 g/mol
LogP3.10
Rot. Bonds

About 3,7-dimethyl-2H-pyrido[1,2-a]pyrimidine;ethane

3,7-dimethyl-2H-pyrido[1,2-a]pyrimidine;ethane (PubChem CID 143545408) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 3,7-dimethyl-2H-pyrido[1,2-a]pyrimidine;ethane.

Molecular Properties

Compound Name3,7-dimethyl-2H-pyrido[1,2-a]pyrimidine;ethane
PubChem CID143545408
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name3,7-dimethyl-2H-pyrido[1,2-a]pyrimidine;ethane
SMILESCC.CC1=CN2C=C(C)CN=C2C=C1
InChIInChI=1S/C10H12N2.C2H6/c1-8-3-4-10-11-5-9(2)7-12(10)6-8;1-2/h3-4,6-7H,5H2,1-2H3;1-2H3
InChIKeyGAKLBXUSNKKIOR-UHFFFAOYSA-N
XLogP3.10
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethenyl-N-methyl-5-(trifluoromethyl)pyridin-2-imine
CID 146477817
7-butyl-4H-pyrido[1,2-a]pyrimidine
CID 20348005
N,1,4-trimethylpyridin-2-imine
CID 23387651
1H-pyrido[2,1-b]quinazoline
CID 57105532
3H-pyrido[2,1-b]quinazoline
CID 57137694
6-ethyl-2H-imidazo[1,2-a]pyridin-4-ium
CID 57589463
2-hydroxy-N-methylisoquinolin-3-imine
CID 57733005
4-tert-butyl-N,1-dimethylpyridin-2-imine
CID 59485522
N,N-dimethyl-1-[(2-methyl-3H-pyridin-3-id-4-yl)methylimino]methanamine;yttrium
CID 59953000
N,N-dimethyl-1-[(6-methyl-2H-pyridin-2-id-3-yl)methylimino]methanamine;yttrium
CID 59953001
2H-pyrimido[1,2-b]isoquinoline
CID 88813953
4H-pyrimido[1,2-b]isoquinoline
CID 88813954

Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-2H-pyrido[1,2-a]pyrimidine;ethane?
The IUPAC name of 3,7-dimethyl-2H-pyrido[1,2-a]pyrimidine;ethane (CID 143545408) is 3,7-dimethyl-2H-pyrido[1,2-a]pyrimidine;ethane.
What is the SMILES notation for 3,7-dimethyl-2H-pyrido[1,2-a]pyrimidine;ethane?
The canonical SMILES for 3,7-dimethyl-2H-pyrido[1,2-a]pyrimidine;ethane is CC.CC1=CN2C=C(C)CN=C2C=C1.
What is the InChIKey of 3,7-dimethyl-2H-pyrido[1,2-a]pyrimidine;ethane?
The InChIKey is GAKLBXUSNKKIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2.C2H6/c1-8-3-4-10-11-5-9(2)7-12(10)6-8;1-2/h3-4,6-7H,5H2,1-2H3;1-2H3.
What are the key properties of 3,7-dimethyl-2H-pyrido[1,2-a]pyrimidine;ethane?
3,7-dimethyl-2H-pyrido[1,2-a]pyrimidine;ethane has a molecular weight of 190.29 g/mol, XLogP of 3.10, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-2H-pyrido[1,2-a]pyrimidine;ethane is sourced from PubChem (CID 143545408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).