5-bromo-N-ethyl-2-[4-(methoxymethyl)phenyl]-6-methylpyrimidin-4-amine

C15H18BrN3O — CID 66295720

IUPAC5-bromo-N-ethyl-2-[4-(methoxymethyl)phenyl]-6-methylpyrimidin-4-amine
SMILESCCNc1nc(-c2ccc(COC)cc2)nc(C)c1Br
InChIInChI=1S/C15H18BrN3O/c1-4-17-15-13(16)10(2)18-14(19-15)12-7-5-11(6-8-12)9-20-3/h5-8H,4,9H2,1-3H3,(H,17,18,19)
InChIKeyPXECLGFYZQDNOK-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.79
Rot. Bonds5

About 5-bromo-N-ethyl-2-[4-(methoxymethyl)phenyl]-6-methylpyrimidin-4-amine

5-bromo-N-ethyl-2-[4-(methoxymethyl)phenyl]-6-methylpyrimidin-4-amine (PubChem CID 66295720) has the molecular formula C15H18BrN3O and a molecular weight of 336.23 g/mol. Its IUPAC name is 5-bromo-N-ethyl-2-[4-(methoxymethyl)phenyl]-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-ethyl-2-[4-(methoxymethyl)phenyl]-6-methylpyrimidin-4-amine
PubChem CID66295720
Molecular FormulaC15H18BrN3O
Molecular Weight336.23 g/mol
Exact Mass335.06
IUPAC Name5-bromo-N-ethyl-2-[4-(methoxymethyl)phenyl]-6-methylpyrimidin-4-amine
SMILESCCNc1nc(-c2ccc(COC)cc2)nc(C)c1Br
InChIInChI=1S/C15H18BrN3O/c1-4-17-15-13(16)10(2)18-14(19-15)12-7-5-11(6-8-12)9-20-3/h5-8H,4,9H2,1-3H3,(H,17,18,19)
InChIKeyPXECLGFYZQDNOK-UHFFFAOYSA-N
XLogP3.79
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-(4-bromophenyl)-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine
CID 66299985
5-bromo-N-ethyl-2-[2-(methoxymethyl)phenyl]-6-methylpyrimidin-4-amine
CID 66297841
5-bromo-N-ethyl-2-(furan-3-yl)-6-methylpyrimidin-4-amine
CID 66306676
5-bromo-N-ethyl-6-methyl-2-(2-methylphenyl)pyrimidin-4-amine
CID 66306280
N-ethyl-5,6-dimethyl-2-(4-methylphenyl)pyrimidin-4-amine
CID 62192547
5-bromo-N-ethyl-6-(methoxymethyl)-2-(6-methoxy-3-pyridinyl)pyrimidin-4-amine
CID 114938404
5-bromo-2-(3-cyclopropylphenyl)-N-ethyl-6-methylpyrimidin-4-amine
CID 79980369
5-bromo-2-(2,5-dimethoxyphenyl)-N-ethyl-6-methylpyrimidin-4-amine
CID 66302187
5-bromo-2-(2,3-dimethylphenyl)-N-ethyl-6-methylpyrimidin-4-amine
CID 66297457
5-bromo-N-ethyl-6-methyl-2-pyrazin-2-ylpyrimidin-4-amine
CID 66305081
5-bromo-2-(4-bromo-2-methylphenyl)-N-ethyl-6-methylpyrimidin-4-amine
CID 103083781
5-bromo-2-(4-ethylsulfanylphenyl)-6-methyl-N-propylpyrimidin-4-amine
CID 106849549

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethyl-2-[4-(methoxymethyl)phenyl]-6-methylpyrimidin-4-amine?
The IUPAC name of 5-bromo-N-ethyl-2-[4-(methoxymethyl)phenyl]-6-methylpyrimidin-4-amine (CID 66295720) is 5-bromo-N-ethyl-2-[4-(methoxymethyl)phenyl]-6-methylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-ethyl-2-[4-(methoxymethyl)phenyl]-6-methylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-ethyl-2-[4-(methoxymethyl)phenyl]-6-methylpyrimidin-4-amine is CCNc1nc(-c2ccc(COC)cc2)nc(C)c1Br.
What is the InChIKey of 5-bromo-N-ethyl-2-[4-(methoxymethyl)phenyl]-6-methylpyrimidin-4-amine?
The InChIKey is PXECLGFYZQDNOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O/c1-4-17-15-13(16)10(2)18-14(19-15)12-7-5-11(6-8-12)9-20-3/h5-8H,4,9H2,1-3H3,(H,17,18,19).
What are the key properties of 5-bromo-N-ethyl-2-[4-(methoxymethyl)phenyl]-6-methylpyrimidin-4-amine?
5-bromo-N-ethyl-2-[4-(methoxymethyl)phenyl]-6-methylpyrimidin-4-amine has a molecular weight of 336.23 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-ethyl-2-[4-(methoxymethyl)phenyl]-6-methylpyrimidin-4-amine is sourced from PubChem (CID 66295720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).