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

C14H17BrN4O — CID 66299210

IUPAC5-bromo-N-ethyl-6-(methoxymethyl)-2-(3-methyl-2-pyridinyl)pyrimidin-4-amine
SMILESCCNc1nc(-c2ncccc2C)nc(COC)c1Br
InChIInChI=1S/C14H17BrN4O/c1-4-16-13-11(15)10(8-20-3)18-14(19-13)12-9(2)6-5-7-17-12/h5-7H,4,8H2,1-3H3,(H,16,18,19)
InChIKeyPTARDIQSFRHEST-UHFFFAOYSA-N
MW337.22 g/mol
LogP3.19
Rot. Bonds5

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

5-bromo-N-ethyl-6-(methoxymethyl)-2-(3-methyl-2-pyridinyl)pyrimidin-4-amine (PubChem CID 66299210) has the molecular formula C14H17BrN4O and a molecular weight of 337.22 g/mol. Its IUPAC name is 5-bromo-N-ethyl-6-(methoxymethyl)-2-(3-methyl-2-pyridinyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-ethyl-6-(methoxymethyl)-2-(3-methyl-2-pyridinyl)pyrimidin-4-amine
PubChem CID66299210
Molecular FormulaC14H17BrN4O
Molecular Weight337.22 g/mol
Exact Mass336.06
IUPAC Name5-bromo-N-ethyl-6-(methoxymethyl)-2-(3-methyl-2-pyridinyl)pyrimidin-4-amine
SMILESCCNc1nc(-c2ncccc2C)nc(COC)c1Br
InChIInChI=1S/C14H17BrN4O/c1-4-16-13-11(15)10(8-20-3)18-14(19-13)12-9(2)6-5-7-17-12/h5-7H,4,8H2,1-3H3,(H,16,18,19)
InChIKeyPTARDIQSFRHEST-UHFFFAOYSA-N
XLogP3.19
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethyl-6-(methoxymethyl)-2-(3-methyl-2-pyridinyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-N-ethyl-6-(methoxymethyl)-2-(3-methyl-2-pyridinyl)pyrimidin-4-amine (CID 66299210) is 5-bromo-N-ethyl-6-(methoxymethyl)-2-(3-methyl-2-pyridinyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-ethyl-6-(methoxymethyl)-2-(3-methyl-2-pyridinyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-ethyl-6-(methoxymethyl)-2-(3-methyl-2-pyridinyl)pyrimidin-4-amine is CCNc1nc(-c2ncccc2C)nc(COC)c1Br.
What is the InChIKey of 5-bromo-N-ethyl-6-(methoxymethyl)-2-(3-methyl-2-pyridinyl)pyrimidin-4-amine?
The InChIKey is PTARDIQSFRHEST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4O/c1-4-16-13-11(15)10(8-20-3)18-14(19-13)12-9(2)6-5-7-17-12/h5-7H,4,8H2,1-3H3,(H,16,18,19).
What are the key properties of 5-bromo-N-ethyl-6-(methoxymethyl)-2-(3-methyl-2-pyridinyl)pyrimidin-4-amine?
5-bromo-N-ethyl-6-(methoxymethyl)-2-(3-methyl-2-pyridinyl)pyrimidin-4-amine has a molecular weight of 337.22 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-ethyl-6-(methoxymethyl)-2-(3-methyl-2-pyridinyl)pyrimidin-4-amine is sourced from PubChem (CID 66299210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).