1-methyl-2-propan-2-yl-5-pyrimidin-5-ylindole

C16H17N3 — CID 70791259

IUPAC1-methyl-2-propan-2-yl-5-pyrimidin-5-ylindole
SMILESCC(C)c1cc2cc(-c3cncnc3)ccc2n1C
InChIInChI=1S/C16H17N3/c1-11(2)16-7-13-6-12(4-5-15(13)19(16)3)14-8-17-10-18-9-14/h4-11H,1-3H3
InChIKeyVJORHCQPTRSNPQ-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.76
Rot. Bonds2

About 1-methyl-2-propan-2-yl-5-pyrimidin-5-ylindole

1-methyl-2-propan-2-yl-5-pyrimidin-5-ylindole (PubChem CID 70791259) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-methyl-2-propan-2-yl-5-pyrimidin-5-ylindole.

Molecular Properties

Compound Name1-methyl-2-propan-2-yl-5-pyrimidin-5-ylindole
PubChem CID70791259
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC Name1-methyl-2-propan-2-yl-5-pyrimidin-5-ylindole
SMILESCC(C)c1cc2cc(-c3cncnc3)ccc2n1C
InChIInChI=1S/C16H17N3/c1-11(2)16-7-13-6-12(4-5-15(13)19(16)3)14-8-17-10-18-9-14/h4-11H,1-3H3
InChIKeyVJORHCQPTRSNPQ-UHFFFAOYSA-N
XLogP3.76
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-propan-2-yl-5-pyrimidin-5-ylindole?
The IUPAC name of 1-methyl-2-propan-2-yl-5-pyrimidin-5-ylindole (CID 70791259) is 1-methyl-2-propan-2-yl-5-pyrimidin-5-ylindole.
What is the SMILES notation for 1-methyl-2-propan-2-yl-5-pyrimidin-5-ylindole?
The canonical SMILES for 1-methyl-2-propan-2-yl-5-pyrimidin-5-ylindole is CC(C)c1cc2cc(-c3cncnc3)ccc2n1C.
What is the InChIKey of 1-methyl-2-propan-2-yl-5-pyrimidin-5-ylindole?
The InChIKey is VJORHCQPTRSNPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3/c1-11(2)16-7-13-6-12(4-5-15(13)19(16)3)14-8-17-10-18-9-14/h4-11H,1-3H3.
What are the key properties of 1-methyl-2-propan-2-yl-5-pyrimidin-5-ylindole?
1-methyl-2-propan-2-yl-5-pyrimidin-5-ylindole has a molecular weight of 251.33 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-propan-2-yl-5-pyrimidin-5-ylindole is sourced from PubChem (CID 70791259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).