4,6-dimethoxy-2-methyl-1-pyrimidin-2-ylbenzimidazole

C14H14N4O2 — CID 90354134

IUPAC4,6-dimethoxy-2-methyl-1-pyrimidin-2-ylbenzimidazole
SMILESCOc1cc(OC)c2nc(C)n(-c3ncccn3)c2c1
InChIInChI=1S/C14H14N4O2/c1-9-17-13-11(7-10(19-2)8-12(13)20-3)18(9)14-15-5-4-6-16-14/h4-8H,1-3H3
InChIKeyCCYMKJPKCRBOEH-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.14
Rot. Bonds3

About 4,6-dimethoxy-2-methyl-1-pyrimidin-2-ylbenzimidazole

4,6-dimethoxy-2-methyl-1-pyrimidin-2-ylbenzimidazole (PubChem CID 90354134) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 4,6-dimethoxy-2-methyl-1-pyrimidin-2-ylbenzimidazole.

Molecular Properties

Compound Name4,6-dimethoxy-2-methyl-1-pyrimidin-2-ylbenzimidazole
PubChem CID90354134
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name4,6-dimethoxy-2-methyl-1-pyrimidin-2-ylbenzimidazole
SMILESCOc1cc(OC)c2nc(C)n(-c3ncccn3)c2c1
InChIInChI=1S/C14H14N4O2/c1-9-17-13-11(7-10(19-2)8-12(13)20-3)18(9)14-15-5-4-6-16-14/h4-8H,1-3H3
InChIKeyCCYMKJPKCRBOEH-UHFFFAOYSA-N
XLogP2.14
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-6,8-dimethoxy-2-methylquinazoline
CID 89399960
6,8-dimethoxy-2-methylquinoline
CID 14936500
4-methoxy-2-methyl-1-pyridin-2-ylindole
CID 170694384
5-methoxy-2-prop-2-enyl-1-pyrimidin-2-ylindole
CID 122209129
(2,4-dimethoxyphenyl)-(6-pyridin-2-yl-2-pyridinyl)methanone
CID 135252418
4,6-dimethoxy-1,3-benzothiazole
CID 54409935
2-(4,6-dimethoxy-1H-benzimidazol-2-yl)-4,6-dimethoxy-1H-benzimidazole
CID 177451746
6,8-dimethoxy-3-methyl-1-(3-methyl-4-pyridinyl)imidazo[5,1-c][1,2,4]benzotriazine
CID 46200399
6,8-dimethoxy-3-methylisoquinoline
CID 134913416
chloro-tris(2,4,6-trimethoxyphenyl)silane
CID 88962916
8-fluoro-6-methoxy-3,4-dimethyl-1-(2-methyl-3-pyridinyl)imidazo[1,5-a]quinoxaline
CID 42630192
(3,5-dimethoxy-2-methylphenyl)-trimethoxysilane
CID 59566684

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxy-2-methyl-1-pyrimidin-2-ylbenzimidazole?
The IUPAC name of 4,6-dimethoxy-2-methyl-1-pyrimidin-2-ylbenzimidazole (CID 90354134) is 4,6-dimethoxy-2-methyl-1-pyrimidin-2-ylbenzimidazole.
What is the SMILES notation for 4,6-dimethoxy-2-methyl-1-pyrimidin-2-ylbenzimidazole?
The canonical SMILES for 4,6-dimethoxy-2-methyl-1-pyrimidin-2-ylbenzimidazole is COc1cc(OC)c2nc(C)n(-c3ncccn3)c2c1.
What is the InChIKey of 4,6-dimethoxy-2-methyl-1-pyrimidin-2-ylbenzimidazole?
The InChIKey is CCYMKJPKCRBOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-9-17-13-11(7-10(19-2)8-12(13)20-3)18(9)14-15-5-4-6-16-14/h4-8H,1-3H3.
What are the key properties of 4,6-dimethoxy-2-methyl-1-pyrimidin-2-ylbenzimidazole?
4,6-dimethoxy-2-methyl-1-pyrimidin-2-ylbenzimidazole has a molecular weight of 270.29 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-2-methyl-1-pyrimidin-2-ylbenzimidazole is sourced from PubChem (CID 90354134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).