1,3-dimethyl-5-pyrimidin-5-ylindole

C14H13N3 — CID 170299618

IUPAC1,3-dimethyl-5-pyrimidin-5-ylindole
SMILESCc1cn(C)c2ccc(-c3cncnc3)cc12
InChIInChI=1S/C14H13N3/c1-10-8-17(2)14-4-3-11(5-13(10)14)12-6-15-9-16-7-12/h3-9H,1-2H3
InChIKeyYFDIKOGOLBNDKM-UHFFFAOYSA-N
MW223.28 g/mol
LogP2.94
Rot. Bonds1

About 1,3-dimethyl-5-pyrimidin-5-ylindole

1,3-dimethyl-5-pyrimidin-5-ylindole (PubChem CID 170299618) has the molecular formula C14H13N3 and a molecular weight of 223.28 g/mol. Its IUPAC name is 1,3-dimethyl-5-pyrimidin-5-ylindole.

Molecular Properties

Compound Name1,3-dimethyl-5-pyrimidin-5-ylindole
PubChem CID170299618
Molecular FormulaC14H13N3
Molecular Weight223.28 g/mol
Exact Mass223.11
IUPAC Name1,3-dimethyl-5-pyrimidin-5-ylindole
SMILESCc1cn(C)c2ccc(-c3cncnc3)cc12
InChIInChI=1S/C14H13N3/c1-10-8-17(2)14-4-3-11(5-13(10)14)12-6-15-9-16-7-12/h3-9H,1-2H3
InChIKeyYFDIKOGOLBNDKM-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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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-pyrimidin-5-ylindole?
The IUPAC name of 1,3-dimethyl-5-pyrimidin-5-ylindole (CID 170299618) is 1,3-dimethyl-5-pyrimidin-5-ylindole.
What is the SMILES notation for 1,3-dimethyl-5-pyrimidin-5-ylindole?
The canonical SMILES for 1,3-dimethyl-5-pyrimidin-5-ylindole is Cc1cn(C)c2ccc(-c3cncnc3)cc12.
What is the InChIKey of 1,3-dimethyl-5-pyrimidin-5-ylindole?
The InChIKey is YFDIKOGOLBNDKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3/c1-10-8-17(2)14-4-3-11(5-13(10)14)12-6-15-9-16-7-12/h3-9H,1-2H3.
What are the key properties of 1,3-dimethyl-5-pyrimidin-5-ylindole?
1,3-dimethyl-5-pyrimidin-5-ylindole 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 1,3-dimethyl-5-pyrimidin-5-ylindole is sourced from PubChem (CID 170299618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).