5-methyl-2-(2-methylpropyl)pyrimido[5,4-b]indole

C15H17N3 — CID 67988435

IUPAC5-methyl-2-(2-methylpropyl)pyrimido[5,4-b]indole
SMILESCC(C)Cc1ncc2c(n1)c1ccccc1n2C
InChIInChI=1S/C15H17N3/c1-10(2)8-14-16-9-13-15(17-14)11-6-4-5-7-12(11)18(13)3/h4-7,9-10H,8H2,1-3H3
InChIKeyNYODEIYVCPULQD-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.32
Rot. Bonds2

About 5-methyl-2-(2-methylpropyl)pyrimido[5,4-b]indole

5-methyl-2-(2-methylpropyl)pyrimido[5,4-b]indole (PubChem CID 67988435) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is 5-methyl-2-(2-methylpropyl)pyrimido[5,4-b]indole.

Molecular Properties

Compound Name5-methyl-2-(2-methylpropyl)pyrimido[5,4-b]indole
PubChem CID67988435
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC Name5-methyl-2-(2-methylpropyl)pyrimido[5,4-b]indole
SMILESCC(C)Cc1ncc2c(n1)c1ccccc1n2C
InChIInChI=1S/C15H17N3/c1-10(2)8-14-16-9-13-15(17-14)11-6-4-5-7-12(11)18(13)3/h4-7,9-10H,8H2,1-3H3
InChIKeyNYODEIYVCPULQD-UHFFFAOYSA-N
XLogP3.32
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(2-methylpropyl)pyrimido[5,4-b]indole?
The IUPAC name of 5-methyl-2-(2-methylpropyl)pyrimido[5,4-b]indole (CID 67988435) is 5-methyl-2-(2-methylpropyl)pyrimido[5,4-b]indole.
What is the SMILES notation for 5-methyl-2-(2-methylpropyl)pyrimido[5,4-b]indole?
The canonical SMILES for 5-methyl-2-(2-methylpropyl)pyrimido[5,4-b]indole is CC(C)Cc1ncc2c(n1)c1ccccc1n2C.
What is the InChIKey of 5-methyl-2-(2-methylpropyl)pyrimido[5,4-b]indole?
The InChIKey is NYODEIYVCPULQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3/c1-10(2)8-14-16-9-13-15(17-14)11-6-4-5-7-12(11)18(13)3/h4-7,9-10H,8H2,1-3H3.
What are the key properties of 5-methyl-2-(2-methylpropyl)pyrimido[5,4-b]indole?
5-methyl-2-(2-methylpropyl)pyrimido[5,4-b]indole has a molecular weight of 239.32 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(2-methylpropyl)pyrimido[5,4-b]indole is sourced from PubChem (CID 67988435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).