5-bromo-2-(2-ethoxyphenyl)-6-methyl-N-propylpyrimidin-4-amine

C16H20BrN3O — CID 66296687

IUPAC5-bromo-2-(2-ethoxyphenyl)-6-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(-c2ccccc2OCC)nc(C)c1Br
InChIInChI=1S/C16H20BrN3O/c1-4-10-18-16-14(17)11(3)19-15(20-16)12-8-6-7-9-13(12)21-5-2/h6-9H,4-5,10H2,1-3H3,(H,18,19,20)
InChIKeyBVMDNIRLRJNXEQ-UHFFFAOYSA-N
MW350.26 g/mol
LogP4.44
Rot. Bonds6

About 5-bromo-2-(2-ethoxyphenyl)-6-methyl-N-propylpyrimidin-4-amine

5-bromo-2-(2-ethoxyphenyl)-6-methyl-N-propylpyrimidin-4-amine (PubChem CID 66296687) has the molecular formula C16H20BrN3O and a molecular weight of 350.26 g/mol. Its IUPAC name is 5-bromo-2-(2-ethoxyphenyl)-6-methyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(2-ethoxyphenyl)-6-methyl-N-propylpyrimidin-4-amine
PubChem CID66296687
Molecular FormulaC16H20BrN3O
Molecular Weight350.26 g/mol
Exact Mass349.08
IUPAC Name5-bromo-2-(2-ethoxyphenyl)-6-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(-c2ccccc2OCC)nc(C)c1Br
InChIInChI=1S/C16H20BrN3O/c1-4-10-18-16-14(17)11(3)19-15(20-16)12-8-6-7-9-13(12)21-5-2/h6-9H,4-5,10H2,1-3H3,(H,18,19,20)
InChIKeyBVMDNIRLRJNXEQ-UHFFFAOYSA-N
XLogP4.44
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-ethoxyphenyl)-6-methyl-N-propylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(2-ethoxyphenyl)-6-methyl-N-propylpyrimidin-4-amine (CID 66296687) is 5-bromo-2-(2-ethoxyphenyl)-6-methyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(2-ethoxyphenyl)-6-methyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(2-ethoxyphenyl)-6-methyl-N-propylpyrimidin-4-amine is CCCNc1nc(-c2ccccc2OCC)nc(C)c1Br.
What is the InChIKey of 5-bromo-2-(2-ethoxyphenyl)-6-methyl-N-propylpyrimidin-4-amine?
The InChIKey is BVMDNIRLRJNXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3O/c1-4-10-18-16-14(17)11(3)19-15(20-16)12-8-6-7-9-13(12)21-5-2/h6-9H,4-5,10H2,1-3H3,(H,18,19,20).
What are the key properties of 5-bromo-2-(2-ethoxyphenyl)-6-methyl-N-propylpyrimidin-4-amine?
5-bromo-2-(2-ethoxyphenyl)-6-methyl-N-propylpyrimidin-4-amine has a molecular weight of 350.26 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2-ethoxyphenyl)-6-methyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 66296687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).