2,4-dimethoxy-7,7-dimethyl-8,9-dihydro-6H-pyrimido[1,2-a]benzimidazole

C14H19N3O2 — CID 115404217

IUPAC2,4-dimethoxy-7,7-dimethyl-8,9-dihydro-6H-pyrimido[1,2-a]benzimidazole
SMILESCOc1cc(OC)n2c3c(nc2n1)CCC(C)(C)C3
InChIInChI=1S/C14H19N3O2/c1-14(2)6-5-9-10(8-14)17-12(19-4)7-11(18-3)16-13(17)15-9/h7H,5-6,8H2,1-4H3
InChIKeyZOKKSLBQAHKMQV-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.26
Rot. Bonds2

About 2,4-dimethoxy-7,7-dimethyl-8,9-dihydro-6H-pyrimido[1,2-a]benzimidazole

2,4-dimethoxy-7,7-dimethyl-8,9-dihydro-6H-pyrimido[1,2-a]benzimidazole (PubChem CID 115404217) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2,4-dimethoxy-7,7-dimethyl-8,9-dihydro-6H-pyrimido[1,2-a]benzimidazole.

Molecular Properties

Compound Name2,4-dimethoxy-7,7-dimethyl-8,9-dihydro-6H-pyrimido[1,2-a]benzimidazole
PubChem CID115404217
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name2,4-dimethoxy-7,7-dimethyl-8,9-dihydro-6H-pyrimido[1,2-a]benzimidazole
SMILESCOc1cc(OC)n2c3c(nc2n1)CCC(C)(C)C3
InChIInChI=1S/C14H19N3O2/c1-14(2)6-5-9-10(8-14)17-12(19-4)7-11(18-3)16-13(17)15-9/h7H,5-6,8H2,1-4H3
InChIKeyZOKKSLBQAHKMQV-UHFFFAOYSA-N
XLogP2.26
TPSA48.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-7,7-dimethyl-8,9-dihydro-6H-pyrimido[1,2-a]benzimidazole?
The IUPAC name of 2,4-dimethoxy-7,7-dimethyl-8,9-dihydro-6H-pyrimido[1,2-a]benzimidazole (CID 115404217) is 2,4-dimethoxy-7,7-dimethyl-8,9-dihydro-6H-pyrimido[1,2-a]benzimidazole.
What is the SMILES notation for 2,4-dimethoxy-7,7-dimethyl-8,9-dihydro-6H-pyrimido[1,2-a]benzimidazole?
The canonical SMILES for 2,4-dimethoxy-7,7-dimethyl-8,9-dihydro-6H-pyrimido[1,2-a]benzimidazole is COc1cc(OC)n2c3c(nc2n1)CCC(C)(C)C3.
What is the InChIKey of 2,4-dimethoxy-7,7-dimethyl-8,9-dihydro-6H-pyrimido[1,2-a]benzimidazole?
The InChIKey is ZOKKSLBQAHKMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-14(2)6-5-9-10(8-14)17-12(19-4)7-11(18-3)16-13(17)15-9/h7H,5-6,8H2,1-4H3.
What are the key properties of 2,4-dimethoxy-7,7-dimethyl-8,9-dihydro-6H-pyrimido[1,2-a]benzimidazole?
2,4-dimethoxy-7,7-dimethyl-8,9-dihydro-6H-pyrimido[1,2-a]benzimidazole has a molecular weight of 261.32 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-7,7-dimethyl-8,9-dihydro-6H-pyrimido[1,2-a]benzimidazole is sourced from PubChem (CID 115404217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).