5-bromo-6-ethyl-N-methyl-2-(1-methyl-2,3-dihydroindol-5-yl)pyrimidin-4-amine

C16H19BrN4 — CID 66295211

IUPAC5-bromo-6-ethyl-N-methyl-2-(1-methyl-2,3-dihydroindol-5-yl)pyrimidin-4-amine
SMILESCCc1nc(-c2ccc3c(c2)CCN3C)nc(NC)c1Br
InChIInChI=1S/C16H19BrN4/c1-4-12-14(17)16(18-2)20-15(19-12)11-5-6-13-10(9-11)7-8-21(13)3/h5-6,9H,4,7-8H2,1-3H3,(H,18,19,20)
InChIKeySOHUQTPTZZYHNH-UHFFFAOYSA-N
MW347.26 g/mol
LogP3.50
Rot. Bonds3

About 5-bromo-6-ethyl-N-methyl-2-(1-methyl-2,3-dihydroindol-5-yl)pyrimidin-4-amine

5-bromo-6-ethyl-N-methyl-2-(1-methyl-2,3-dihydroindol-5-yl)pyrimidin-4-amine (PubChem CID 66295211) has the molecular formula C16H19BrN4 and a molecular weight of 347.26 g/mol. Its IUPAC name is 5-bromo-6-ethyl-N-methyl-2-(1-methyl-2,3-dihydroindol-5-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-ethyl-N-methyl-2-(1-methyl-2,3-dihydroindol-5-yl)pyrimidin-4-amine
PubChem CID66295211
Molecular FormulaC16H19BrN4
Molecular Weight347.26 g/mol
Exact Mass346.08
IUPAC Name5-bromo-6-ethyl-N-methyl-2-(1-methyl-2,3-dihydroindol-5-yl)pyrimidin-4-amine
SMILESCCc1nc(-c2ccc3c(c2)CCN3C)nc(NC)c1Br
InChIInChI=1S/C16H19BrN4/c1-4-12-14(17)16(18-2)20-15(19-12)11-5-6-13-10(9-11)7-8-21(13)3/h5-6,9H,4,7-8H2,1-3H3,(H,18,19,20)
InChIKeySOHUQTPTZZYHNH-UHFFFAOYSA-N
XLogP3.50
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.26
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-ethyl-N-methyl-2-(1-methyl-2,3-dihydroindol-5-yl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-6-ethyl-N-methyl-2-(1-methyl-2,3-dihydroindol-5-yl)pyrimidin-4-amine (CID 66295211) is 5-bromo-6-ethyl-N-methyl-2-(1-methyl-2,3-dihydroindol-5-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-ethyl-N-methyl-2-(1-methyl-2,3-dihydroindol-5-yl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-ethyl-N-methyl-2-(1-methyl-2,3-dihydroindol-5-yl)pyrimidin-4-amine is CCc1nc(-c2ccc3c(c2)CCN3C)nc(NC)c1Br.
What is the InChIKey of 5-bromo-6-ethyl-N-methyl-2-(1-methyl-2,3-dihydroindol-5-yl)pyrimidin-4-amine?
The InChIKey is SOHUQTPTZZYHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN4/c1-4-12-14(17)16(18-2)20-15(19-12)11-5-6-13-10(9-11)7-8-21(13)3/h5-6,9H,4,7-8H2,1-3H3,(H,18,19,20).
What are the key properties of 5-bromo-6-ethyl-N-methyl-2-(1-methyl-2,3-dihydroindol-5-yl)pyrimidin-4-amine?
5-bromo-6-ethyl-N-methyl-2-(1-methyl-2,3-dihydroindol-5-yl)pyrimidin-4-amine has a molecular weight of 347.26 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-ethyl-N-methyl-2-(1-methyl-2,3-dihydroindol-5-yl)pyrimidin-4-amine is sourced from PubChem (CID 66295211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).