ethane;3-methyl-3,4-dihydro-2H-pyrimido[1,2-b]isoquinoline

C15H20N2 — CID 142854301

IUPACethane;3-methyl-3,4-dihydro-2H-pyrimido[1,2-b]isoquinoline
SMILESCC.CC1CN=C2C=c3ccccc3=CN2C1
InChIInChI=1S/C13H14N2.C2H6/c1-10-7-14-13-6-11-4-2-3-5-12(11)9-15(13)8-10;1-2/h2-6,9-10H,7-8H2,1H3;1-2H3
InChIKeyVHYIZZHKAUCKFL-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.60
Rot. Bonds

About ethane;3-methyl-3,4-dihydro-2H-pyrimido[1,2-b]isoquinoline

ethane;3-methyl-3,4-dihydro-2H-pyrimido[1,2-b]isoquinoline (PubChem CID 142854301) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is ethane;3-methyl-3,4-dihydro-2H-pyrimido[1,2-b]isoquinoline.

Molecular Properties

Compound Nameethane;3-methyl-3,4-dihydro-2H-pyrimido[1,2-b]isoquinoline
PubChem CID142854301
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Nameethane;3-methyl-3,4-dihydro-2H-pyrimido[1,2-b]isoquinoline
SMILESCC.CC1CN=C2C=c3ccccc3=CN2C1
InChIInChI=1S/C13H14N2.C2H6/c1-10-7-14-13-6-11-4-2-3-5-12(11)9-15(13)8-10;1-2/h2-6,9-10H,7-8H2,1H3;1-2H3
InChIKeyVHYIZZHKAUCKFL-UHFFFAOYSA-N
XLogP1.60
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-butyl-4H-pyrido[1,2-a]pyrimidine
CID 20348005
2H-pyrimido[1,2-b]isoquinoline
CID 88813953
4H-pyrimido[1,2-b]isoquinoline
CID 88813954
9-ethyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidine
CID 89691873
2-ethenyl-N-methylisoquinolin-3-imine
CID 118303833
3-(Cyclohexa-1,5-dien-1-ylmethyl)-4-cyclopropylidene-2-methyl-6,7-dihydroquinazoline
CID 123755807
N,2-diethylisoquinolin-3-imine;ethane
CID 142838375
2-cyclohexa-1,5-dien-1-yl-1-methyl-5,6-dihydro-4H-pyrimidine
CID 142943250
7-Methylpyrido[1,2-a]pyrimidine
CID 143483234
3,7-dimethyl-2H-pyrido[1,2-a]pyrimidine;ethane
CID 143545408
N,N,1-trimethyl-2-[(E)-prop-1-enyl]-8aH-quinazolin-4-amine
CID 143956474
11a,12a-Dihydroindolo[1,2-a]quinazoline
CID 148548374

Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-3,4-dihydro-2H-pyrimido[1,2-b]isoquinoline?
The IUPAC name of ethane;3-methyl-3,4-dihydro-2H-pyrimido[1,2-b]isoquinoline (CID 142854301) is ethane;3-methyl-3,4-dihydro-2H-pyrimido[1,2-b]isoquinoline.
What is the SMILES notation for ethane;3-methyl-3,4-dihydro-2H-pyrimido[1,2-b]isoquinoline?
The canonical SMILES for ethane;3-methyl-3,4-dihydro-2H-pyrimido[1,2-b]isoquinoline is CC.CC1CN=C2C=c3ccccc3=CN2C1.
What is the InChIKey of ethane;3-methyl-3,4-dihydro-2H-pyrimido[1,2-b]isoquinoline?
The InChIKey is VHYIZZHKAUCKFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2.C2H6/c1-10-7-14-13-6-11-4-2-3-5-12(11)9-15(13)8-10;1-2/h2-6,9-10H,7-8H2,1H3;1-2H3.
What are the key properties of ethane;3-methyl-3,4-dihydro-2H-pyrimido[1,2-b]isoquinoline?
ethane;3-methyl-3,4-dihydro-2H-pyrimido[1,2-b]isoquinoline has a molecular weight of 228.34 g/mol, XLogP of 1.60, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-3,4-dihydro-2H-pyrimido[1,2-b]isoquinoline is sourced from PubChem (CID 142854301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).