2,3,4-trimethylpyrimido[2,1-a]isoindole

C14H14N2 — CID 23265241

IUPAC2,3,4-trimethylpyrimido[2,1-a]isoindole
SMILESCc1nc2c3ccccc3cn2c(C)c1C
InChIInChI=1S/C14H14N2/c1-9-10(2)15-14-13-7-5-4-6-12(13)8-16(14)11(9)3/h4-8H,1-3H3
InChIKeyRHXAUUYKEDNWBV-UHFFFAOYSA-N
MW210.28 g/mol
LogP3.41
Rot. Bonds

About 2,3,4-trimethylpyrimido[2,1-a]isoindole

2,3,4-trimethylpyrimido[2,1-a]isoindole (PubChem CID 23265241) has the molecular formula C14H14N2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 2,3,4-trimethylpyrimido[2,1-a]isoindole.

Molecular Properties

Compound Name2,3,4-trimethylpyrimido[2,1-a]isoindole
PubChem CID23265241
Molecular FormulaC14H14N2
Molecular Weight210.28 g/mol
Exact Mass210.12
IUPAC Name2,3,4-trimethylpyrimido[2,1-a]isoindole
SMILESCc1nc2c3ccccc3cn2c(C)c1C
InChIInChI=1S/C14H14N2/c1-9-10(2)15-14-13-7-5-4-6-12(13)8-16(14)11(9)3/h4-8H,1-3H3
InChIKeyRHXAUUYKEDNWBV-UHFFFAOYSA-N
XLogP3.41
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,3,4-trimethylpyrimido[1,2-b]indazole
CID 21240475
3-bromo-2-methylpyrimido[2,1-a]isoquinolin-4-one
CID 12664177
(2-methylimidazo[2,1-a]isoquinolin-3-yl)methanamine
CID 115027407
2-methyl-3-phenylimidazo[2,1-a]isoquinoline
CID 58517681
2,5-dimethylimidazo[2,1-a]isoquinoline
CID 15103602
2-bromo-6-isocyano-5-methylimidazo[2,1-a]isoquinoline
CID 123822449
3-methyl-2-phenylimidazo[2,1-a]isoquinoline
CID 757851
1,3,4-trimethylisoquinoline
CID 59961835
8-bromo-2,3-dimethylimidazo[1,2-a]pyridine
CID 70473254
6,8-dibromo-2,3-dimethylimidazo[1,2-a]pyrazine
CID 170993894
N-tert-butyl-6-fluoro-N-(6-fluoro-3-methylimidazo[2,1-a]isoquinolin-2-yl)-3-methylimidazo[2,1-a]isoquinolin-2-amine
CID 71180850
2,3,6,8-tetramethylimidazo[1,2-a]pyrazine
CID 134317979

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethylpyrimido[2,1-a]isoindole?
The IUPAC name of 2,3,4-trimethylpyrimido[2,1-a]isoindole (CID 23265241) is 2,3,4-trimethylpyrimido[2,1-a]isoindole.
What is the SMILES notation for 2,3,4-trimethylpyrimido[2,1-a]isoindole?
The canonical SMILES for 2,3,4-trimethylpyrimido[2,1-a]isoindole is Cc1nc2c3ccccc3cn2c(C)c1C.
What is the InChIKey of 2,3,4-trimethylpyrimido[2,1-a]isoindole?
The InChIKey is RHXAUUYKEDNWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2/c1-9-10(2)15-14-13-7-5-4-6-12(13)8-16(14)11(9)3/h4-8H,1-3H3.
What are the key properties of 2,3,4-trimethylpyrimido[2,1-a]isoindole?
2,3,4-trimethylpyrimido[2,1-a]isoindole has a molecular weight of 210.28 g/mol, XLogP of 3.41, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethylpyrimido[2,1-a]isoindole is sourced from PubChem (CID 23265241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).