1-methyl-3-(4-methylpyrimidin-2-yl)indole

C14H13N3 — CID 134862486

IUPAC1-methyl-3-(4-methylpyrimidin-2-yl)indole
SMILESCc1ccnc(-c2cn(C)c3ccccc23)n1
InChIInChI=1S/C14H13N3/c1-10-7-8-15-14(16-10)12-9-17(2)13-6-4-3-5-11(12)13/h3-9H,1-2H3
InChIKeySUUBRWGYXMHTCX-UHFFFAOYSA-N
MW223.28 g/mol
LogP2.94
Rot. Bonds1

About 1-methyl-3-(4-methylpyrimidin-2-yl)indole

1-methyl-3-(4-methylpyrimidin-2-yl)indole (PubChem CID 134862486) has the molecular formula C14H13N3 and a molecular weight of 223.28 g/mol. Its IUPAC name is 1-methyl-3-(4-methylpyrimidin-2-yl)indole.

Molecular Properties

Compound Name1-methyl-3-(4-methylpyrimidin-2-yl)indole
PubChem CID134862486
Molecular FormulaC14H13N3
Molecular Weight223.28 g/mol
Exact Mass223.11
IUPAC Name1-methyl-3-(4-methylpyrimidin-2-yl)indole
SMILESCc1ccnc(-c2cn(C)c3ccccc23)n1
InChIInChI=1S/C14H13N3/c1-10-7-8-15-14(16-10)12-9-17(2)13-6-4-3-5-11(12)13/h3-9H,1-2H3
InChIKeySUUBRWGYXMHTCX-UHFFFAOYSA-N
XLogP2.94
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)indole
CID 147456489
5-methylpyrrolo[2,3-c]quinoline
CID 46228107
4-methyl-6-(1-methylindol-3-yl)-1,3,5-triazin-2-amine
CID 15211774
4-amino-2-(1-methylindol-3-yl)pyrimidine-5-carbonitrile
CID 116865128
3-(2-chloro-6-methylpyrimidin-4-yl)-1-methylindole
CID 116897369
3-(2,6-dimethylpyrimidin-4-yl)-1-methylindole
CID 116896947
3-(4-chloro-6-methylsulfanyl-1,3,5-triazin-2-yl)-1-methylindole
CID 166917687
1-methyl-3-(4-methylphenyl)indole
CID 58931542
6-(1-methylindol-3-yl)-1H-pyrimidine-2-thione
CID 116900596
N-methyl-3-(1-methylindol-3-yl)-1,2,4-triazin-5-amine
CID 116823912
2-(1-methylindol-3-yl)pyridine-3-carbonitrile
CID 11218536
1-methyl-3-[4-(1-methylindol-3-yl)-1H-pyrrol-3-yl]indole
CID 141098979

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(4-methylpyrimidin-2-yl)indole?
The IUPAC name of 1-methyl-3-(4-methylpyrimidin-2-yl)indole (CID 134862486) is 1-methyl-3-(4-methylpyrimidin-2-yl)indole.
What is the SMILES notation for 1-methyl-3-(4-methylpyrimidin-2-yl)indole?
The canonical SMILES for 1-methyl-3-(4-methylpyrimidin-2-yl)indole is Cc1ccnc(-c2cn(C)c3ccccc23)n1.
What is the InChIKey of 1-methyl-3-(4-methylpyrimidin-2-yl)indole?
The InChIKey is SUUBRWGYXMHTCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3/c1-10-7-8-15-14(16-10)12-9-17(2)13-6-4-3-5-11(12)13/h3-9H,1-2H3.
What are the key properties of 1-methyl-3-(4-methylpyrimidin-2-yl)indole?
1-methyl-3-(4-methylpyrimidin-2-yl)indole has a molecular weight of 223.28 g/mol, XLogP of 2.94, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(4-methylpyrimidin-2-yl)indole is sourced from PubChem (CID 134862486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).