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

C14H15BrN4 — CID 66303212

IUPAC5-bromo-6-methyl-2-(1-methyl-2,3-dihydroindol-5-yl)pyrimidin-4-amine
SMILESCc1nc(-c2ccc3c(c2)CCN3C)nc(N)c1Br
InChIInChI=1S/C14H15BrN4/c1-8-12(15)13(16)18-14(17-8)10-3-4-11-9(7-10)5-6-19(11)2/h3-4,7H,5-6H2,1-2H3,(H2,16,17,18)
InChIKeyUUXVNDUWNFIWQS-UHFFFAOYSA-N
MW319.21 g/mol
LogP2.79
Rot. Bonds1

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

5-bromo-6-methyl-2-(1-methyl-2,3-dihydroindol-5-yl)pyrimidin-4-amine (PubChem CID 66303212) has the molecular formula C14H15BrN4 and a molecular weight of 319.21 g/mol. Its IUPAC name is 5-bromo-6-methyl-2-(1-methyl-2,3-dihydroindol-5-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-methyl-2-(1-methyl-2,3-dihydroindol-5-yl)pyrimidin-4-amine
PubChem CID66303212
Molecular FormulaC14H15BrN4
Molecular Weight319.21 g/mol
Exact Mass318.05
IUPAC Name5-bromo-6-methyl-2-(1-methyl-2,3-dihydroindol-5-yl)pyrimidin-4-amine
SMILESCc1nc(-c2ccc3c(c2)CCN3C)nc(N)c1Br
InChIInChI=1S/C14H15BrN4/c1-8-12(15)13(16)18-14(17-8)10-3-4-11-9(7-10)5-6-19(11)2/h3-4,7H,5-6H2,1-2H3,(H2,16,17,18)
InChIKeyUUXVNDUWNFIWQS-UHFFFAOYSA-N
XLogP2.79
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.21
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-methyl-2-(1-methyl-2,3-dihydroindol-5-yl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-6-methyl-2-(1-methyl-2,3-dihydroindol-5-yl)pyrimidin-4-amine (CID 66303212) is 5-bromo-6-methyl-2-(1-methyl-2,3-dihydroindol-5-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-methyl-2-(1-methyl-2,3-dihydroindol-5-yl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-methyl-2-(1-methyl-2,3-dihydroindol-5-yl)pyrimidin-4-amine is Cc1nc(-c2ccc3c(c2)CCN3C)nc(N)c1Br.
What is the InChIKey of 5-bromo-6-methyl-2-(1-methyl-2,3-dihydroindol-5-yl)pyrimidin-4-amine?
The InChIKey is UUXVNDUWNFIWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN4/c1-8-12(15)13(16)18-14(17-8)10-3-4-11-9(7-10)5-6-19(11)2/h3-4,7H,5-6H2,1-2H3,(H2,16,17,18).
What are the key properties of 5-bromo-6-methyl-2-(1-methyl-2,3-dihydroindol-5-yl)pyrimidin-4-amine?
5-bromo-6-methyl-2-(1-methyl-2,3-dihydroindol-5-yl)pyrimidin-4-amine has a molecular weight of 319.21 g/mol, XLogP of 2.79, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-methyl-2-(1-methyl-2,3-dihydroindol-5-yl)pyrimidin-4-amine is sourced from PubChem (CID 66303212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).