5-bromo-6-ethyl-2-(2-methoxyphenyl)-N-propylpyrimidin-4-amine

C16H20BrN3O — CID 66301030

IUPAC5-bromo-6-ethyl-2-(2-methoxyphenyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(-c2ccccc2OC)nc(CC)c1Br
InChIInChI=1S/C16H20BrN3O/c1-4-10-18-16-14(17)12(5-2)19-15(20-16)11-8-6-7-9-13(11)21-3/h6-9H,4-5,10H2,1-3H3,(H,18,19,20)
InChIKeyZEDBYCBPGIERDQ-UHFFFAOYSA-N
MW350.26 g/mol
LogP4.30
Rot. Bonds6

About 5-bromo-6-ethyl-2-(2-methoxyphenyl)-N-propylpyrimidin-4-amine

5-bromo-6-ethyl-2-(2-methoxyphenyl)-N-propylpyrimidin-4-amine (PubChem CID 66301030) has the molecular formula C16H20BrN3O and a molecular weight of 350.26 g/mol. Its IUPAC name is 5-bromo-6-ethyl-2-(2-methoxyphenyl)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-ethyl-2-(2-methoxyphenyl)-N-propylpyrimidin-4-amine
PubChem CID66301030
Molecular FormulaC16H20BrN3O
Molecular Weight350.26 g/mol
Exact Mass349.08
IUPAC Name5-bromo-6-ethyl-2-(2-methoxyphenyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(-c2ccccc2OC)nc(CC)c1Br
InChIInChI=1S/C16H20BrN3O/c1-4-10-18-16-14(17)12(5-2)19-15(20-16)11-8-6-7-9-13(11)21-3/h6-9H,4-5,10H2,1-3H3,(H,18,19,20)
InChIKeyZEDBYCBPGIERDQ-UHFFFAOYSA-N
XLogP4.30
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 ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-(2-bromophenyl)-6-(methoxymethyl)-N-propylpyrimidin-4-amine
CID 66300779
5-bromo-6-(methoxymethyl)-2-(2-methylphenyl)-N-propylpyrimidin-4-amine
CID 66298614
5-bromo-2-(2,3-dimethoxyphenyl)-6-ethyl-N-methylpyrimidin-4-amine
CID 66295791
5-bromo-2-(2-ethoxyphenyl)-6-methyl-N-propylpyrimidin-4-amine
CID 66296687
5-bromo-6-ethyl-N-propyl-2-pyrimidin-2-ylpyrimidin-4-amine
CID 66299847
5-bromo-2-(2-chlorophenyl)-N,6-dipropylpyrimidin-4-amine
CID 66306369
5-bromo-2-[2-(difluoromethoxy)phenyl]-6-ethyl-N-methylpyrimidin-4-amine
CID 66297909
5-bromo-N,6-diethyl-2-(2-methylphenyl)pyrimidin-4-amine
CID 66299061
5-bromo-N,6-diethyl-2-(2-ethylphenyl)pyrimidin-4-amine
CID 66297721
2-(2-bromophenyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine
CID 66301068
5-bromo-2-(5-bromo-2-methoxyphenyl)-6-ethyl-N-methylpyrimidin-4-amine
CID 66295402
5-bromo-2-(4-chloro-2-methoxyphenyl)-6-methyl-N-propylpyrimidin-4-amine
CID 106819708

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-ethyl-2-(2-methoxyphenyl)-N-propylpyrimidin-4-amine?
The IUPAC name of 5-bromo-6-ethyl-2-(2-methoxyphenyl)-N-propylpyrimidin-4-amine (CID 66301030) is 5-bromo-6-ethyl-2-(2-methoxyphenyl)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-ethyl-2-(2-methoxyphenyl)-N-propylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-ethyl-2-(2-methoxyphenyl)-N-propylpyrimidin-4-amine is CCCNc1nc(-c2ccccc2OC)nc(CC)c1Br.
What is the InChIKey of 5-bromo-6-ethyl-2-(2-methoxyphenyl)-N-propylpyrimidin-4-amine?
The InChIKey is ZEDBYCBPGIERDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3O/c1-4-10-18-16-14(17)12(5-2)19-15(20-16)11-8-6-7-9-13(11)21-3/h6-9H,4-5,10H2,1-3H3,(H,18,19,20).
What are the key properties of 5-bromo-6-ethyl-2-(2-methoxyphenyl)-N-propylpyrimidin-4-amine?
5-bromo-6-ethyl-2-(2-methoxyphenyl)-N-propylpyrimidin-4-amine has a molecular weight of 350.26 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-ethyl-2-(2-methoxyphenyl)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 66301030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).