5-bromo-N-ethyl-6-(methoxymethyl)-2-(6-methoxy-3-pyridinyl)pyrimidin-4-amine

C14H17BrN4O2 — CID 114938404

IUPAC5-bromo-N-ethyl-6-(methoxymethyl)-2-(6-methoxy-3-pyridinyl)pyrimidin-4-amine
SMILESCCNc1nc(-c2ccc(OC)nc2)nc(COC)c1Br
InChIInChI=1S/C14H17BrN4O2/c1-4-16-14-12(15)10(8-20-2)18-13(19-14)9-5-6-11(21-3)17-7-9/h5-7H,4,8H2,1-3H3,(H,16,18,19)
InChIKeyJYNAMYIWSFZVMM-UHFFFAOYSA-N
MW353.22 g/mol
LogP2.89
Rot. Bonds6

About 5-bromo-N-ethyl-6-(methoxymethyl)-2-(6-methoxy-3-pyridinyl)pyrimidin-4-amine

5-bromo-N-ethyl-6-(methoxymethyl)-2-(6-methoxy-3-pyridinyl)pyrimidin-4-amine (PubChem CID 114938404) has the molecular formula C14H17BrN4O2 and a molecular weight of 353.22 g/mol. Its IUPAC name is 5-bromo-N-ethyl-6-(methoxymethyl)-2-(6-methoxy-3-pyridinyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-ethyl-6-(methoxymethyl)-2-(6-methoxy-3-pyridinyl)pyrimidin-4-amine
PubChem CID114938404
Molecular FormulaC14H17BrN4O2
Molecular Weight353.22 g/mol
Exact Mass352.05
IUPAC Name5-bromo-N-ethyl-6-(methoxymethyl)-2-(6-methoxy-3-pyridinyl)pyrimidin-4-amine
SMILESCCNc1nc(-c2ccc(OC)nc2)nc(COC)c1Br
InChIInChI=1S/C14H17BrN4O2/c1-4-16-14-12(15)10(8-20-2)18-13(19-14)9-5-6-11(21-3)17-7-9/h5-7H,4,8H2,1-3H3,(H,16,18,19)
InChIKeyJYNAMYIWSFZVMM-UHFFFAOYSA-N
XLogP2.89
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.22
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-2-(4-bromophenyl)-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine
CID 66299985
5-bromo-N-ethyl-6-(methoxymethyl)-2-(3-methyl-2-pyridinyl)pyrimidin-4-amine
CID 66299210
N-ethyl-6-(methoxymethyl)-2-(6-methoxy-3-pyridinyl)pyrimidin-4-amine
CID 114938356
5-bromo-N-ethyl-6-(methoxymethyl)-2-(4-methyl-2-pyridinyl)pyrimidin-4-amine
CID 66299391
5-bromo-N-ethyl-6-(methoxymethyl)-2-(6-methyl-2-pyridinyl)pyrimidin-4-amine
CID 66299394
5-bromo-2-(2-chlorophenyl)-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine
CID 66300377
6-ethyl-5-iodo-2-(6-methoxy-3-pyridinyl)-N-methylpyrimidin-4-amine
CID 114938393
5-bromo-2-(4-ethoxyphenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 66296421
5-bromo-2-(4-bromophenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 66299387
5-bromo-N-ethyl-2-[4-(methoxymethyl)phenyl]-6-methylpyrimidin-4-amine
CID 66295720
5-bromo-N-ethyl-6-(methoxymethyl)-2-(3-propan-2-ylimidazol-4-yl)pyrimidin-4-amine
CID 66296617
5-bromo-2-(6-methoxy-3-pyridinyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine
CID 114938397

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethyl-6-(methoxymethyl)-2-(6-methoxy-3-pyridinyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-N-ethyl-6-(methoxymethyl)-2-(6-methoxy-3-pyridinyl)pyrimidin-4-amine (CID 114938404) is 5-bromo-N-ethyl-6-(methoxymethyl)-2-(6-methoxy-3-pyridinyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-ethyl-6-(methoxymethyl)-2-(6-methoxy-3-pyridinyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-ethyl-6-(methoxymethyl)-2-(6-methoxy-3-pyridinyl)pyrimidin-4-amine is CCNc1nc(-c2ccc(OC)nc2)nc(COC)c1Br.
What is the InChIKey of 5-bromo-N-ethyl-6-(methoxymethyl)-2-(6-methoxy-3-pyridinyl)pyrimidin-4-amine?
The InChIKey is JYNAMYIWSFZVMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4O2/c1-4-16-14-12(15)10(8-20-2)18-13(19-14)9-5-6-11(21-3)17-7-9/h5-7H,4,8H2,1-3H3,(H,16,18,19).
What are the key properties of 5-bromo-N-ethyl-6-(methoxymethyl)-2-(6-methoxy-3-pyridinyl)pyrimidin-4-amine?
5-bromo-N-ethyl-6-(methoxymethyl)-2-(6-methoxy-3-pyridinyl)pyrimidin-4-amine has a molecular weight of 353.22 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-ethyl-6-(methoxymethyl)-2-(6-methoxy-3-pyridinyl)pyrimidin-4-amine is sourced from PubChem (CID 114938404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).