5-(5-bromo-2-methylphenyl)-N-propan-2-ylpyrimidin-2-amine

C14H16BrN3 — CID 116977236

IUPAC5-(5-bromo-2-methylphenyl)-N-propan-2-ylpyrimidin-2-amine
SMILESCc1ccc(Br)cc1-c1cnc(NC(C)C)nc1
InChIInChI=1S/C14H16BrN3/c1-9(2)18-14-16-7-11(8-17-14)13-6-12(15)5-4-10(13)3/h4-9H,1-3H3,(H,16,17,18)
InChIKeySWBPECUDIUWYRC-UHFFFAOYSA-N
MW306.21 g/mol
LogP4.03
Rot. Bonds3

About 5-(5-bromo-2-methylphenyl)-N-propan-2-ylpyrimidin-2-amine

5-(5-bromo-2-methylphenyl)-N-propan-2-ylpyrimidin-2-amine (PubChem CID 116977236) has the molecular formula C14H16BrN3 and a molecular weight of 306.21 g/mol. Its IUPAC name is 5-(5-bromo-2-methylphenyl)-N-propan-2-ylpyrimidin-2-amine.

Molecular Properties

Compound Name5-(5-bromo-2-methylphenyl)-N-propan-2-ylpyrimidin-2-amine
PubChem CID116977236
Molecular FormulaC14H16BrN3
Molecular Weight306.21 g/mol
Exact Mass305.05
IUPAC Name5-(5-bromo-2-methylphenyl)-N-propan-2-ylpyrimidin-2-amine
SMILESCc1ccc(Br)cc1-c1cnc(NC(C)C)nc1
InChIInChI=1S/C14H16BrN3/c1-9(2)18-14-16-7-11(8-17-14)13-6-12(15)5-4-10(13)3/h4-9H,1-3H3,(H,16,17,18)
InChIKeySWBPECUDIUWYRC-UHFFFAOYSA-N
XLogP4.03
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.21
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-2-methylphenyl)-N-propan-2-ylpyrimidin-2-amine?
The IUPAC name of 5-(5-bromo-2-methylphenyl)-N-propan-2-ylpyrimidin-2-amine (CID 116977236) is 5-(5-bromo-2-methylphenyl)-N-propan-2-ylpyrimidin-2-amine.
What is the SMILES notation for 5-(5-bromo-2-methylphenyl)-N-propan-2-ylpyrimidin-2-amine?
The canonical SMILES for 5-(5-bromo-2-methylphenyl)-N-propan-2-ylpyrimidin-2-amine is Cc1ccc(Br)cc1-c1cnc(NC(C)C)nc1.
What is the InChIKey of 5-(5-bromo-2-methylphenyl)-N-propan-2-ylpyrimidin-2-amine?
The InChIKey is SWBPECUDIUWYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3/c1-9(2)18-14-16-7-11(8-17-14)13-6-12(15)5-4-10(13)3/h4-9H,1-3H3,(H,16,17,18).
What are the key properties of 5-(5-bromo-2-methylphenyl)-N-propan-2-ylpyrimidin-2-amine?
5-(5-bromo-2-methylphenyl)-N-propan-2-ylpyrimidin-2-amine has a molecular weight of 306.21 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromo-2-methylphenyl)-N-propan-2-ylpyrimidin-2-amine is sourced from PubChem (CID 116977236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).