6,8-dimethyl-6,7,8,9-tetrahydropyrimido[1,2-a]benzimidazole

C12H15N3 — CID 115403443

IUPAC6,8-dimethyl-6,7,8,9-tetrahydropyrimido[1,2-a]benzimidazole
SMILESCC1Cc2nc3ncccn3c2C(C)C1
InChIInChI=1S/C12H15N3/c1-8-6-9(2)11-10(7-8)14-12-13-4-3-5-15(11)12/h3-5,8-9H,6-7H2,1-2H3
InChIKeyYNTFTEGPZUUJQW-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.42
Rot. Bonds

About 6,8-dimethyl-6,7,8,9-tetrahydropyrimido[1,2-a]benzimidazole

6,8-dimethyl-6,7,8,9-tetrahydropyrimido[1,2-a]benzimidazole (PubChem CID 115403443) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 6,8-dimethyl-6,7,8,9-tetrahydropyrimido[1,2-a]benzimidazole.

Molecular Properties

Compound Name6,8-dimethyl-6,7,8,9-tetrahydropyrimido[1,2-a]benzimidazole
PubChem CID115403443
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name6,8-dimethyl-6,7,8,9-tetrahydropyrimido[1,2-a]benzimidazole
SMILESCC1Cc2nc3ncccn3c2C(C)C1
InChIInChI=1S/C12H15N3/c1-8-6-9(2)11-10(7-8)14-12-13-4-3-5-15(11)12/h3-5,8-9H,6-7H2,1-2H3
InChIKeyYNTFTEGPZUUJQW-UHFFFAOYSA-N
XLogP2.42
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,8-dimethyl-6,7,8,9-tetrahydropyrimido[1,2-a]benzimidazole?
The IUPAC name of 6,8-dimethyl-6,7,8,9-tetrahydropyrimido[1,2-a]benzimidazole (CID 115403443) is 6,8-dimethyl-6,7,8,9-tetrahydropyrimido[1,2-a]benzimidazole.
What is the SMILES notation for 6,8-dimethyl-6,7,8,9-tetrahydropyrimido[1,2-a]benzimidazole?
The canonical SMILES for 6,8-dimethyl-6,7,8,9-tetrahydropyrimido[1,2-a]benzimidazole is CC1Cc2nc3ncccn3c2C(C)C1.
What is the InChIKey of 6,8-dimethyl-6,7,8,9-tetrahydropyrimido[1,2-a]benzimidazole?
The InChIKey is YNTFTEGPZUUJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-8-6-9(2)11-10(7-8)14-12-13-4-3-5-15(11)12/h3-5,8-9H,6-7H2,1-2H3.
What are the key properties of 6,8-dimethyl-6,7,8,9-tetrahydropyrimido[1,2-a]benzimidazole?
6,8-dimethyl-6,7,8,9-tetrahydropyrimido[1,2-a]benzimidazole has a molecular weight of 201.27 g/mol, XLogP of 2.42, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethyl-6,7,8,9-tetrahydropyrimido[1,2-a]benzimidazole is sourced from PubChem (CID 115403443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).