1,3-dimethyl-5-(5-methylpyrimidin-2-yl)indole

C15H15N3 — CID 170299519

IUPAC1,3-dimethyl-5-(5-methylpyrimidin-2-yl)indole
SMILESCc1cnc(-c2ccc3c(c2)c(C)cn3C)nc1
InChIInChI=1S/C15H15N3/c1-10-7-16-15(17-8-10)12-4-5-14-13(6-12)11(2)9-18(14)3/h4-9H,1-3H3
InChIKeyKFXSHAUVRAVOHL-UHFFFAOYSA-N
MW237.31 g/mol
LogP3.25
Rot. Bonds1

About 1,3-dimethyl-5-(5-methylpyrimidin-2-yl)indole

1,3-dimethyl-5-(5-methylpyrimidin-2-yl)indole (PubChem CID 170299519) has the molecular formula C15H15N3 and a molecular weight of 237.31 g/mol. Its IUPAC name is 1,3-dimethyl-5-(5-methylpyrimidin-2-yl)indole.

Molecular Properties

Compound Name1,3-dimethyl-5-(5-methylpyrimidin-2-yl)indole
PubChem CID170299519
Molecular FormulaC15H15N3
Molecular Weight237.31 g/mol
Exact Mass237.13
IUPAC Name1,3-dimethyl-5-(5-methylpyrimidin-2-yl)indole
SMILESCc1cnc(-c2ccc3c(c2)c(C)cn3C)nc1
InChIInChI=1S/C15H15N3/c1-10-7-16-15(17-8-10)12-4-5-14-13(6-12)11(2)9-18(14)3/h4-9H,1-3H3
InChIKeyKFXSHAUVRAVOHL-UHFFFAOYSA-N
XLogP3.25
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-iodo-1-methyl-5-(5-methylpyrimidin-2-yl)indole
CID 137376067
1,3-dimethyl-5-pyrimidin-5-ylindole
CID 170299618
5-tert-butyl-1,3-dimethylindole
CID 82491537
3-(1,3-dimethylindol-5-yl)-4H-1,2,4-oxadiazol-5-one
CID 166734667
2-(3,4-difluorophenyl)-5-methylpyrimidine
CID 14365247
2-(4-methylphenyl)-5-(5-methylpyrimidin-2-yl)pyrimidine
CID 90064783
1,3-dimethylindole-5-sulfonyl chloride
CID 83825091
1,3-dimethylindole-5-carbohydrazide
CID 169299009
2-methyl-5-(5-methylpyrimidin-2-yl)pyrimidine
CID 90064781
1-(1,3-dimethylindol-5-yl)cyclopropan-1-ol
CID 117290218
1-(1,3-dimethylindol-5-yl)-2-methylpropan-2-ol
CID 117204696
4-(5-methylpyrimidin-2-yl)phenol
CID 135581358

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-(5-methylpyrimidin-2-yl)indole?
The IUPAC name of 1,3-dimethyl-5-(5-methylpyrimidin-2-yl)indole (CID 170299519) is 1,3-dimethyl-5-(5-methylpyrimidin-2-yl)indole.
What is the SMILES notation for 1,3-dimethyl-5-(5-methylpyrimidin-2-yl)indole?
The canonical SMILES for 1,3-dimethyl-5-(5-methylpyrimidin-2-yl)indole is Cc1cnc(-c2ccc3c(c2)c(C)cn3C)nc1.
What is the InChIKey of 1,3-dimethyl-5-(5-methylpyrimidin-2-yl)indole?
The InChIKey is KFXSHAUVRAVOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3/c1-10-7-16-15(17-8-10)12-4-5-14-13(6-12)11(2)9-18(14)3/h4-9H,1-3H3.
What are the key properties of 1,3-dimethyl-5-(5-methylpyrimidin-2-yl)indole?
1,3-dimethyl-5-(5-methylpyrimidin-2-yl)indole has a molecular weight of 237.31 g/mol, XLogP of 3.25, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-(5-methylpyrimidin-2-yl)indole is sourced from PubChem (CID 170299519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).