4-N-(3-bromo-2-methylphenyl)-2-(ethoxymethyl)-6-N-methylpyrimidine-4,6-diamine

C15H19BrN4O — CID 107638613

IUPAC4-N-(3-bromo-2-methylphenyl)-2-(ethoxymethyl)-6-N-methylpyrimidine-4,6-diamine
SMILESCCOCc1nc(NC)cc(Nc2cccc(Br)c2C)n1
InChIInChI=1S/C15H19BrN4O/c1-4-21-9-15-19-13(17-3)8-14(20-15)18-12-7-5-6-11(16)10(12)2/h5-8H,4,9H2,1-3H3,(H2,17,18,19,20)
InChIKeyGNNBTDZYGPWNLT-UHFFFAOYSA-N
MW351.25 g/mol
LogP3.87
Rot. Bonds6

About 4-N-(3-bromo-2-methylphenyl)-2-(ethoxymethyl)-6-N-methylpyrimidine-4,6-diamine

4-N-(3-bromo-2-methylphenyl)-2-(ethoxymethyl)-6-N-methylpyrimidine-4,6-diamine (PubChem CID 107638613) has the molecular formula C15H19BrN4O and a molecular weight of 351.25 g/mol. Its IUPAC name is 4-N-(3-bromo-2-methylphenyl)-2-(ethoxymethyl)-6-N-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3-bromo-2-methylphenyl)-2-(ethoxymethyl)-6-N-methylpyrimidine-4,6-diamine
PubChem CID107638613
Molecular FormulaC15H19BrN4O
Molecular Weight351.25 g/mol
Exact Mass350.07
IUPAC Name4-N-(3-bromo-2-methylphenyl)-2-(ethoxymethyl)-6-N-methylpyrimidine-4,6-diamine
SMILESCCOCc1nc(NC)cc(Nc2cccc(Br)c2C)n1
InChIInChI=1S/C15H19BrN4O/c1-4-21-9-15-19-13(17-3)8-14(20-15)18-12-7-5-6-11(16)10(12)2/h5-8H,4,9H2,1-3H3,(H2,17,18,19,20)
InChIKeyGNNBTDZYGPWNLT-UHFFFAOYSA-N
XLogP3.87
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.25
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-(3-bromo-2-methylphenyl)-2-(ethoxymethyl)-6-N-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(3-bromo-2-methylphenyl)-2-(ethoxymethyl)-6-N-methylpyrimidine-4,6-diamine (CID 107638613) is 4-N-(3-bromo-2-methylphenyl)-2-(ethoxymethyl)-6-N-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(3-bromo-2-methylphenyl)-2-(ethoxymethyl)-6-N-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(3-bromo-2-methylphenyl)-2-(ethoxymethyl)-6-N-methylpyrimidine-4,6-diamine is CCOCc1nc(NC)cc(Nc2cccc(Br)c2C)n1.
What is the InChIKey of 4-N-(3-bromo-2-methylphenyl)-2-(ethoxymethyl)-6-N-methylpyrimidine-4,6-diamine?
The InChIKey is GNNBTDZYGPWNLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN4O/c1-4-21-9-15-19-13(17-3)8-14(20-15)18-12-7-5-6-11(16)10(12)2/h5-8H,4,9H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 4-N-(3-bromo-2-methylphenyl)-2-(ethoxymethyl)-6-N-methylpyrimidine-4,6-diamine?
4-N-(3-bromo-2-methylphenyl)-2-(ethoxymethyl)-6-N-methylpyrimidine-4,6-diamine has a molecular weight of 351.25 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-bromo-2-methylphenyl)-2-(ethoxymethyl)-6-N-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 107638613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).