7-methoxy-1-methyl-4-pyrimidin-4-ylindole

C14H13N3O — CID 175774096

IUPAC7-methoxy-1-methyl-4-pyrimidin-4-ylindole
SMILESCOc1ccc(-c2ccncn2)c2ccn(C)c12
InChIInChI=1S/C14H13N3O/c1-17-8-6-11-10(12-5-7-15-9-16-12)3-4-13(18-2)14(11)17/h3-9H,1-2H3
InChIKeyWDUWHJAUPIYIBP-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.64
Rot. Bonds2

About 7-methoxy-1-methyl-4-pyrimidin-4-ylindole

7-methoxy-1-methyl-4-pyrimidin-4-ylindole (PubChem CID 175774096) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 7-methoxy-1-methyl-4-pyrimidin-4-ylindole.

Molecular Properties

Compound Name7-methoxy-1-methyl-4-pyrimidin-4-ylindole
PubChem CID175774096
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name7-methoxy-1-methyl-4-pyrimidin-4-ylindole
SMILESCOc1ccc(-c2ccncn2)c2ccn(C)c12
InChIInChI=1S/C14H13N3O/c1-17-8-6-11-10(12-5-7-15-9-16-12)3-4-13(18-2)14(11)17/h3-9H,1-2H3
InChIKeyWDUWHJAUPIYIBP-UHFFFAOYSA-N
XLogP2.64
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-fluoro-2-methoxyphenyl)pyrimidine
CID 141365926
5-(7-methoxy-1-methylindol-4-yl)-1,2-oxazol-4-amine
CID 82386450
5-(7-methoxy-1-methylindol-4-yl)-1,2-oxazole-3-carboxylic acid
CID 117433252
5-(7-methoxy-1-methylindol-4-yl)-1-methylpyrazole-3-carboxylic acid
CID 117459377
3-methoxy-1-methyl-5-pyrimidin-4-ylpyridin-2-one
CID 135334641
4-(1-methylimidazol-2-yl)pyrimidine
CID 157435351
5-(2-methoxy-4-pyrimidin-4-ylphenyl)-1,2-oxazol-3-one
CID 175702355
5-iodo-1-methyl-3-pyrimidin-4-ylindole
CID 58221787
1-methyl-4-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-b]pyridine
CID 70718302
4-(1-benzothiophen-6-yl)-8-methoxy-2-methyl-7-pyrimidin-4-yl-3,4-dihydro-1H-isoquinoline
CID 68995518
2-(5,7-dimethoxy-1-methylindol-4-yl)-2-oxoacetamide
CID 102396716
(5-chloro-2-methoxyphenyl)-pyrimidin-4-ylmethanone
CID 63988733

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1-methyl-4-pyrimidin-4-ylindole?
The IUPAC name of 7-methoxy-1-methyl-4-pyrimidin-4-ylindole (CID 175774096) is 7-methoxy-1-methyl-4-pyrimidin-4-ylindole.
What is the SMILES notation for 7-methoxy-1-methyl-4-pyrimidin-4-ylindole?
The canonical SMILES for 7-methoxy-1-methyl-4-pyrimidin-4-ylindole is COc1ccc(-c2ccncn2)c2ccn(C)c12.
What is the InChIKey of 7-methoxy-1-methyl-4-pyrimidin-4-ylindole?
The InChIKey is WDUWHJAUPIYIBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-17-8-6-11-10(12-5-7-15-9-16-12)3-4-13(18-2)14(11)17/h3-9H,1-2H3.
What are the key properties of 7-methoxy-1-methyl-4-pyrimidin-4-ylindole?
7-methoxy-1-methyl-4-pyrimidin-4-ylindole has a molecular weight of 239.28 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1-methyl-4-pyrimidin-4-ylindole is sourced from PubChem (CID 175774096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).