5-bromo-N-ethyl-2-(4-ethylphenyl)pyrimidin-4-amine

C14H16BrN3 — CID 66301850

IUPAC5-bromo-N-ethyl-2-(4-ethylphenyl)pyrimidin-4-amine
SMILESCCNc1nc(-c2ccc(CC)cc2)ncc1Br
InChIInChI=1S/C14H16BrN3/c1-3-10-5-7-11(8-6-10)13-17-9-12(15)14(18-13)16-4-2/h5-9H,3-4H2,1-2H3,(H,16,17,18)
InChIKeyCDKRPNGRQQPXIR-UHFFFAOYSA-N
MW306.21 g/mol
LogP3.90
Rot. Bonds4

About 5-bromo-N-ethyl-2-(4-ethylphenyl)pyrimidin-4-amine

5-bromo-N-ethyl-2-(4-ethylphenyl)pyrimidin-4-amine (PubChem CID 66301850) has the molecular formula C14H16BrN3 and a molecular weight of 306.21 g/mol. Its IUPAC name is 5-bromo-N-ethyl-2-(4-ethylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-ethyl-2-(4-ethylphenyl)pyrimidin-4-amine
PubChem CID66301850
Molecular FormulaC14H16BrN3
Molecular Weight306.21 g/mol
Exact Mass305.05
IUPAC Name5-bromo-N-ethyl-2-(4-ethylphenyl)pyrimidin-4-amine
SMILESCCNc1nc(-c2ccc(CC)cc2)ncc1Br
InChIInChI=1S/C14H16BrN3/c1-3-10-5-7-11(8-6-10)13-17-9-12(15)14(18-13)16-4-2/h5-9H,3-4H2,1-2H3,(H,16,17,18)
InChIKeyCDKRPNGRQQPXIR-UHFFFAOYSA-N
XLogP3.90
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.21
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethyl-2-(4-ethylphenyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-N-ethyl-2-(4-ethylphenyl)pyrimidin-4-amine (CID 66301850) is 5-bromo-N-ethyl-2-(4-ethylphenyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-ethyl-2-(4-ethylphenyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-ethyl-2-(4-ethylphenyl)pyrimidin-4-amine is CCNc1nc(-c2ccc(CC)cc2)ncc1Br.
What is the InChIKey of 5-bromo-N-ethyl-2-(4-ethylphenyl)pyrimidin-4-amine?
The InChIKey is CDKRPNGRQQPXIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3/c1-3-10-5-7-11(8-6-10)13-17-9-12(15)14(18-13)16-4-2/h5-9H,3-4H2,1-2H3,(H,16,17,18).
What are the key properties of 5-bromo-N-ethyl-2-(4-ethylphenyl)pyrimidin-4-amine?
5-bromo-N-ethyl-2-(4-ethylphenyl)pyrimidin-4-amine has a molecular weight of 306.21 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-ethyl-2-(4-ethylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 66301850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).