N-[2-(3-bromo-4-methoxyphenyl)ethyl]-5-ethylpyrimidin-2-amine

C15H18BrN3O — CID 59643362

IUPACN-[2-(3-bromo-4-methoxyphenyl)ethyl]-5-ethylpyrimidin-2-amine
SMILESCCc1cnc(NCCc2ccc(OC)c(Br)c2)nc1
InChIInChI=1S/C15H18BrN3O/c1-3-11-9-18-15(19-10-11)17-7-6-12-4-5-14(20-2)13(16)8-12/h4-5,8-10H,3,6-7H2,1-2H3,(H,17,18,19)
InChIKeyUBLJWDNDWHUYGS-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.46
Rot. Bonds6

About N-[2-(3-bromo-4-methoxyphenyl)ethyl]-5-ethylpyrimidin-2-amine

N-[2-(3-bromo-4-methoxyphenyl)ethyl]-5-ethylpyrimidin-2-amine (PubChem CID 59643362) has the molecular formula C15H18BrN3O and a molecular weight of 336.23 g/mol. Its IUPAC name is N-[2-(3-bromo-4-methoxyphenyl)ethyl]-5-ethylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[2-(3-bromo-4-methoxyphenyl)ethyl]-5-ethylpyrimidin-2-amine
PubChem CID59643362
Molecular FormulaC15H18BrN3O
Molecular Weight336.23 g/mol
Exact Mass335.06
IUPAC NameN-[2-(3-bromo-4-methoxyphenyl)ethyl]-5-ethylpyrimidin-2-amine
SMILESCCc1cnc(NCCc2ccc(OC)c(Br)c2)nc1
InChIInChI=1S/C15H18BrN3O/c1-3-11-9-18-15(19-10-11)17-7-6-12-4-5-14(20-2)13(16)8-12/h4-5,8-10H,3,6-7H2,1-2H3,(H,17,18,19)
InChIKeyUBLJWDNDWHUYGS-UHFFFAOYSA-N
XLogP3.46
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-N-[2-(4-methoxy-3-methylphenyl)ethyl]pyrimidin-2-amine
CID 59643398
5-ethyl-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]pyrimidin-2-amine
CID 59643126
5-bromo-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidin-2-amine
CID 63874532
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylpyrimidin-2-amine
CID 63208375
N'-[2-(3-bromo-4-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 115195398
N-[2-(3-bromo-4-methoxyphenyl)ethyl]pteridin-4-amine
CID 58174262
2-[2-(3-bromo-4-methoxyphenyl)ethylamino]-2-methylpropan-1-ol
CID 115133534
3-[[5-(3-bromo-4-methoxyphenyl)pyrimidin-2-yl]amino]propanenitrile
CID 116975700
3-bromo-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylpyridin-2-amine
CID 105366661
2-N-[2-(3-bromo-4-methoxyphenyl)ethyl]-4-methylbenzene-1,2-diamine
CID 115126408
2-[[2-(3-bromo-4-methoxyphenyl)ethylamino]methyl]butan-1-ol
CID 115250998
N-[2-(3-bromo-4-methoxyphenyl)ethyl]-2-hydroxy-2-methylpropanamide
CID 115178909

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-bromo-4-methoxyphenyl)ethyl]-5-ethylpyrimidin-2-amine?
The IUPAC name of N-[2-(3-bromo-4-methoxyphenyl)ethyl]-5-ethylpyrimidin-2-amine (CID 59643362) is N-[2-(3-bromo-4-methoxyphenyl)ethyl]-5-ethylpyrimidin-2-amine.
What is the SMILES notation for N-[2-(3-bromo-4-methoxyphenyl)ethyl]-5-ethylpyrimidin-2-amine?
The canonical SMILES for N-[2-(3-bromo-4-methoxyphenyl)ethyl]-5-ethylpyrimidin-2-amine is CCc1cnc(NCCc2ccc(OC)c(Br)c2)nc1.
What is the InChIKey of N-[2-(3-bromo-4-methoxyphenyl)ethyl]-5-ethylpyrimidin-2-amine?
The InChIKey is UBLJWDNDWHUYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O/c1-3-11-9-18-15(19-10-11)17-7-6-12-4-5-14(20-2)13(16)8-12/h4-5,8-10H,3,6-7H2,1-2H3,(H,17,18,19).
What are the key properties of N-[2-(3-bromo-4-methoxyphenyl)ethyl]-5-ethylpyrimidin-2-amine?
N-[2-(3-bromo-4-methoxyphenyl)ethyl]-5-ethylpyrimidin-2-amine has a molecular weight of 336.23 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-bromo-4-methoxyphenyl)ethyl]-5-ethylpyrimidin-2-amine is sourced from PubChem (CID 59643362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).