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

C14H17BrN4O — CID 107638612

IUPAC4-N-(3-bromo-2-methylphenyl)-2-(methoxymethyl)-6-N-methylpyrimidine-4,6-diamine
SMILESCNc1cc(Nc2cccc(Br)c2C)nc(COC)n1
InChIInChI=1S/C14H17BrN4O/c1-9-10(15)5-4-6-11(9)17-13-7-12(16-2)18-14(19-13)8-20-3/h4-7H,8H2,1-3H3,(H2,16,17,18,19)
InChIKeyPQDHCVPAUYOKGH-UHFFFAOYSA-N
MW337.22 g/mol
LogP3.48
Rot. Bonds5

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

4-N-(3-bromo-2-methylphenyl)-2-(methoxymethyl)-6-N-methylpyrimidine-4,6-diamine (PubChem CID 107638612) has the molecular formula C14H17BrN4O and a molecular weight of 337.22 g/mol. Its IUPAC name is 4-N-(3-bromo-2-methylphenyl)-2-(methoxymethyl)-6-N-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3-bromo-2-methylphenyl)-2-(methoxymethyl)-6-N-methylpyrimidine-4,6-diamine
PubChem CID107638612
Molecular FormulaC14H17BrN4O
Molecular Weight337.22 g/mol
Exact Mass336.06
IUPAC Name4-N-(3-bromo-2-methylphenyl)-2-(methoxymethyl)-6-N-methylpyrimidine-4,6-diamine
SMILESCNc1cc(Nc2cccc(Br)c2C)nc(COC)n1
InChIInChI=1S/C14H17BrN4O/c1-9-10(15)5-4-6-11(9)17-13-7-12(16-2)18-14(19-13)8-20-3/h4-7H,8H2,1-3H3,(H2,16,17,18,19)
InChIKeyPQDHCVPAUYOKGH-UHFFFAOYSA-N
XLogP3.48
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(3-bromo-2-methylphenyl)-2-(ethoxymethyl)-6-N-methylpyrimidine-4,6-diamine
CID 107638613
4-N-(2-bromo-6-fluorophenyl)-2-(methoxymethyl)-6-N-methylpyrimidine-4,6-diamine
CID 107604540
4-N-(2-bromo-5-chloro-4-methylphenyl)-2-(methoxymethyl)-6-N-methylpyrimidine-4,6-diamine
CID 104725543
4-N-(2-chloro-5-methylphenyl)-2-(methoxymethyl)-6-N-methylpyrimidine-4,6-diamine
CID 107638868
4-N-(2,3-dimethylphenyl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80934005
2-ethyl-4-N-[2-(methoxymethyl)phenyl]-6-N-methylpyrimidine-4,6-diamine
CID 80934372
4-N-(3-bromo-2-methylphenyl)-6-N-ethyl-2-methylpyrimidine-4,6-diamine
CID 107638807
4-N-(3-bromo-2-methylphenyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine
CID 107638809
4-N-(2,3-dimethylphenyl)-6-N,2-dimethylpyrimidine-4,6-diamine
CID 80761966
2-(methoxymethyl)-6-N-methyl-4-N-(1-methylpyrazol-3-yl)pyrimidine-4,6-diamine
CID 113401557
N-(3-bromo-2-methylphenyl)-2-tert-butyl-6-hydrazinylpyrimidin-4-amine
CID 107639485
2-(methoxymethyl)-N-methyl-6-phenylpyrimidin-4-amine
CID 62190343

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-bromo-2-methylphenyl)-2-(methoxymethyl)-6-N-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(3-bromo-2-methylphenyl)-2-(methoxymethyl)-6-N-methylpyrimidine-4,6-diamine (CID 107638612) is 4-N-(3-bromo-2-methylphenyl)-2-(methoxymethyl)-6-N-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(3-bromo-2-methylphenyl)-2-(methoxymethyl)-6-N-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(3-bromo-2-methylphenyl)-2-(methoxymethyl)-6-N-methylpyrimidine-4,6-diamine is CNc1cc(Nc2cccc(Br)c2C)nc(COC)n1.
What is the InChIKey of 4-N-(3-bromo-2-methylphenyl)-2-(methoxymethyl)-6-N-methylpyrimidine-4,6-diamine?
The InChIKey is PQDHCVPAUYOKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4O/c1-9-10(15)5-4-6-11(9)17-13-7-12(16-2)18-14(19-13)8-20-3/h4-7H,8H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 4-N-(3-bromo-2-methylphenyl)-2-(methoxymethyl)-6-N-methylpyrimidine-4,6-diamine?
4-N-(3-bromo-2-methylphenyl)-2-(methoxymethyl)-6-N-methylpyrimidine-4,6-diamine has a molecular weight of 337.22 g/mol, XLogP of 3.48, 5 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-(methoxymethyl)-6-N-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 107638612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).