2-methyl-4-(1-methylindol-3-yl)-5H-pyrrolo[3,2-d]pyrimidine

C16H14N4 — CID 153412768

IUPAC2-methyl-4-(1-methylindol-3-yl)-5H-pyrrolo[3,2-d]pyrimidine
SMILESCc1nc(-c2cn(C)c3ccccc23)c2[nH]ccc2n1
InChIInChI=1S/C16H14N4/c1-10-18-13-7-8-17-16(13)15(19-10)12-9-20(2)14-6-4-3-5-11(12)14/h3-9,17H,1-2H3
InChIKeyCOSBNAGPMUWONK-UHFFFAOYSA-N
MW262.32 g/mol
LogP3.43
Rot. Bonds1

About 2-methyl-4-(1-methylindol-3-yl)-5H-pyrrolo[3,2-d]pyrimidine

2-methyl-4-(1-methylindol-3-yl)-5H-pyrrolo[3,2-d]pyrimidine (PubChem CID 153412768) has the molecular formula C16H14N4 and a molecular weight of 262.32 g/mol. Its IUPAC name is 2-methyl-4-(1-methylindol-3-yl)-5H-pyrrolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-methyl-4-(1-methylindol-3-yl)-5H-pyrrolo[3,2-d]pyrimidine
PubChem CID153412768
Molecular FormulaC16H14N4
Molecular Weight262.32 g/mol
Exact Mass262.12
IUPAC Name2-methyl-4-(1-methylindol-3-yl)-5H-pyrrolo[3,2-d]pyrimidine
SMILESCc1nc(-c2cn(C)c3ccccc23)c2[nH]ccc2n1
InChIInChI=1S/C16H14N4/c1-10-18-13-7-8-17-16(13)15(19-10)12-9-20(2)14-6-4-3-5-11(12)14/h3-9,17H,1-2H3
InChIKeyCOSBNAGPMUWONK-UHFFFAOYSA-N
XLogP3.43
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methoxy-4,5-dimethylphenyl)-4-(1-methylindol-3-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine
CID 153412771
4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N,5-dimethyl-1-N-[4-(1-methylindol-3-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]benzene-1,4-diamine
CID 153412769
3-(2,6-dimethylpyrimidin-4-yl)-1-methylindole
CID 116896947
4-methyl-6-(1-methylindol-3-yl)-1,3,5-triazin-2-amine
CID 15211774
1-methyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)indole
CID 147456489
1-methyl-3-[4-(1-methylindol-3-yl)-1H-pyrrol-3-yl]indole
CID 141098979
1-methyl-3-(4-methylphenyl)indole
CID 58931542
1-methyl-3-(5-methyl-1H-pyrazol-3-yl)indole
CID 12006818
5-methyl-3-(1-methylindol-3-yl)-1H-pyrazole-4-carboxylic acid
CID 82482196
2-methyl-6-(1-methylindol-3-yl)pyrimidine-4-carboxylic acid
CID 82304798
1-methyl-3-(4-methylpyrimidin-2-yl)indole
CID 134862486
3-(1-methylindol-3-yl)-1-prop-2-enylquinoxalin-2-one
CID 134852173

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(1-methylindol-3-yl)-5H-pyrrolo[3,2-d]pyrimidine?
The IUPAC name of 2-methyl-4-(1-methylindol-3-yl)-5H-pyrrolo[3,2-d]pyrimidine (CID 153412768) is 2-methyl-4-(1-methylindol-3-yl)-5H-pyrrolo[3,2-d]pyrimidine.
What is the SMILES notation for 2-methyl-4-(1-methylindol-3-yl)-5H-pyrrolo[3,2-d]pyrimidine?
The canonical SMILES for 2-methyl-4-(1-methylindol-3-yl)-5H-pyrrolo[3,2-d]pyrimidine is Cc1nc(-c2cn(C)c3ccccc23)c2[nH]ccc2n1.
What is the InChIKey of 2-methyl-4-(1-methylindol-3-yl)-5H-pyrrolo[3,2-d]pyrimidine?
The InChIKey is COSBNAGPMUWONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4/c1-10-18-13-7-8-17-16(13)15(19-10)12-9-20(2)14-6-4-3-5-11(12)14/h3-9,17H,1-2H3.
What are the key properties of 2-methyl-4-(1-methylindol-3-yl)-5H-pyrrolo[3,2-d]pyrimidine?
2-methyl-4-(1-methylindol-3-yl)-5H-pyrrolo[3,2-d]pyrimidine has a molecular weight of 262.32 g/mol, XLogP of 3.43, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(1-methylindol-3-yl)-5H-pyrrolo[3,2-d]pyrimidine is sourced from PubChem (CID 153412768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).