5-bromo-2-(2-methylphenyl)-6-propan-2-ylpyrimidin-4-amine

C14H16BrN3 — CID 66301281

IUPAC5-bromo-2-(2-methylphenyl)-6-propan-2-ylpyrimidin-4-amine
SMILESCc1ccccc1-c1nc(N)c(Br)c(C(C)C)n1
InChIInChI=1S/C14H16BrN3/c1-8(2)12-11(15)13(16)18-14(17-12)10-7-5-4-6-9(10)3/h4-8H,1-3H3,(H2,16,17,18)
InChIKeyYSQMAXRRSDKBAU-UHFFFAOYSA-N
MW306.21 g/mol
LogP3.92
Rot. Bonds2

About 5-bromo-2-(2-methylphenyl)-6-propan-2-ylpyrimidin-4-amine

5-bromo-2-(2-methylphenyl)-6-propan-2-ylpyrimidin-4-amine (PubChem CID 66301281) has the molecular formula C14H16BrN3 and a molecular weight of 306.21 g/mol. Its IUPAC name is 5-bromo-2-(2-methylphenyl)-6-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(2-methylphenyl)-6-propan-2-ylpyrimidin-4-amine
PubChem CID66301281
Molecular FormulaC14H16BrN3
Molecular Weight306.21 g/mol
Exact Mass305.05
IUPAC Name5-bromo-2-(2-methylphenyl)-6-propan-2-ylpyrimidin-4-amine
SMILESCc1ccccc1-c1nc(N)c(Br)c(C(C)C)n1
InChIInChI=1S/C14H16BrN3/c1-8(2)12-11(15)13(16)18-14(17-12)10-7-5-4-6-9(10)3/h4-8H,1-3H3,(H2,16,17,18)
InChIKeyYSQMAXRRSDKBAU-UHFFFAOYSA-N
XLogP3.92
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.21
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-methylphenyl)-6-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(2-methylphenyl)-6-propan-2-ylpyrimidin-4-amine (CID 66301281) is 5-bromo-2-(2-methylphenyl)-6-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(2-methylphenyl)-6-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(2-methylphenyl)-6-propan-2-ylpyrimidin-4-amine is Cc1ccccc1-c1nc(N)c(Br)c(C(C)C)n1.
What is the InChIKey of 5-bromo-2-(2-methylphenyl)-6-propan-2-ylpyrimidin-4-amine?
The InChIKey is YSQMAXRRSDKBAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3/c1-8(2)12-11(15)13(16)18-14(17-12)10-7-5-4-6-9(10)3/h4-8H,1-3H3,(H2,16,17,18).
What are the key properties of 5-bromo-2-(2-methylphenyl)-6-propan-2-ylpyrimidin-4-amine?
5-bromo-2-(2-methylphenyl)-6-propan-2-ylpyrimidin-4-amine has a molecular weight of 306.21 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2-methylphenyl)-6-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 66301281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).