2-(3-bromophenyl)-5-ethyl-6-methyl-N-propylpyrimidin-4-amine

C16H20BrN3 — CID 63486280

IUPAC2-(3-bromophenyl)-5-ethyl-6-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(-c2cccc(Br)c2)nc(C)c1CC
InChIInChI=1S/C16H20BrN3/c1-4-9-18-16-14(5-2)11(3)19-15(20-16)12-7-6-8-13(17)10-12/h6-8,10H,4-5,9H2,1-3H3,(H,18,19,20)
InChIKeyQMLIWHHBERWJLF-UHFFFAOYSA-N
MW334.26 g/mol
LogP4.60
Rot. Bonds5

About 2-(3-bromophenyl)-5-ethyl-6-methyl-N-propylpyrimidin-4-amine

2-(3-bromophenyl)-5-ethyl-6-methyl-N-propylpyrimidin-4-amine (PubChem CID 63486280) has the molecular formula C16H20BrN3 and a molecular weight of 334.26 g/mol. Its IUPAC name is 2-(3-bromophenyl)-5-ethyl-6-methyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(3-bromophenyl)-5-ethyl-6-methyl-N-propylpyrimidin-4-amine
PubChem CID63486280
Molecular FormulaC16H20BrN3
Molecular Weight334.26 g/mol
Exact Mass333.08
IUPAC Name2-(3-bromophenyl)-5-ethyl-6-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(-c2cccc(Br)c2)nc(C)c1CC
InChIInChI=1S/C16H20BrN3/c1-4-9-18-16-14(5-2)11(3)19-15(20-16)12-7-6-8-13(17)10-12/h6-8,10H,4-5,9H2,1-3H3,(H,18,19,20)
InChIKeyQMLIWHHBERWJLF-UHFFFAOYSA-N
XLogP4.60
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromophenyl)-5-ethyl-6-methyl-N-propylpyrimidin-4-amine
CID 63486623
3-(3-bromophenyl)-5,6-dimethyl-N-propylpyrazin-2-amine
CID 115504055
5-bromo-2-(3-chlorophenyl)-6-methyl-N-propylpyrimidin-4-amine
CID 66304892
2-(3-bromophenyl)-N,6-diethyl-5-methylpyrimidin-4-amine
CID 63560398
2-[2-(3-bromophenyl)-4,6-dimethylpyrimidin-5-yl]ethanol
CID 115069802
2-(3-bromophenyl)-N-propylpyrimidin-4-amine
CID 55135437
5-bromo-2-(3-bromophenyl)-N,6-diethylpyrimidin-4-amine
CID 66299451
3-(3-bromophenyl)-N-propyl-1,2,4-thiadiazol-5-amine
CID 65268642
5-ethyl-6-methyl-2-(3-methylfuran-2-yl)-N-propylpyrimidin-4-amine
CID 104806638
5-ethyl-2-(5-ethylfuran-2-yl)-6-methyl-N-propylpyrimidin-4-amine
CID 63479307
5-bromo-2-(3-bromophenyl)-6-ethyl-N-methylpyrimidin-4-amine
CID 66298851
2-(4-bromo-3-methylphenyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine
CID 66481275

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-5-ethyl-6-methyl-N-propylpyrimidin-4-amine?
The IUPAC name of 2-(3-bromophenyl)-5-ethyl-6-methyl-N-propylpyrimidin-4-amine (CID 63486280) is 2-(3-bromophenyl)-5-ethyl-6-methyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-(3-bromophenyl)-5-ethyl-6-methyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-(3-bromophenyl)-5-ethyl-6-methyl-N-propylpyrimidin-4-amine is CCCNc1nc(-c2cccc(Br)c2)nc(C)c1CC.
What is the InChIKey of 2-(3-bromophenyl)-5-ethyl-6-methyl-N-propylpyrimidin-4-amine?
The InChIKey is QMLIWHHBERWJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3/c1-4-9-18-16-14(5-2)11(3)19-15(20-16)12-7-6-8-13(17)10-12/h6-8,10H,4-5,9H2,1-3H3,(H,18,19,20).
What are the key properties of 2-(3-bromophenyl)-5-ethyl-6-methyl-N-propylpyrimidin-4-amine?
2-(3-bromophenyl)-5-ethyl-6-methyl-N-propylpyrimidin-4-amine has a molecular weight of 334.26 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-5-ethyl-6-methyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 63486280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).