5-bromo-4-N-[2-(2-methoxyphenyl)ethyl]-6-N-methylpyrimidine-4,6-diamine

C14H17BrN4O — CID 106262696

IUPAC5-bromo-4-N-[2-(2-methoxyphenyl)ethyl]-6-N-methylpyrimidine-4,6-diamine
SMILESCNc1ncnc(NCCc2ccccc2OC)c1Br
InChIInChI=1S/C14H17BrN4O/c1-16-13-12(15)14(19-9-18-13)17-8-7-10-5-3-4-6-11(10)20-2/h3-6,9H,7-8H2,1-2H3,(H2,16,17,18,19)
InChIKeyCEQSQUBEHFVUJZ-UHFFFAOYSA-N
MW337.22 g/mol
LogP2.94
Rot. Bonds6

About 5-bromo-4-N-[2-(2-methoxyphenyl)ethyl]-6-N-methylpyrimidine-4,6-diamine

5-bromo-4-N-[2-(2-methoxyphenyl)ethyl]-6-N-methylpyrimidine-4,6-diamine (PubChem CID 106262696) has the molecular formula C14H17BrN4O and a molecular weight of 337.22 g/mol. Its IUPAC name is 5-bromo-4-N-[2-(2-methoxyphenyl)ethyl]-6-N-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-bromo-4-N-[2-(2-methoxyphenyl)ethyl]-6-N-methylpyrimidine-4,6-diamine
PubChem CID106262696
Molecular FormulaC14H17BrN4O
Molecular Weight337.22 g/mol
Exact Mass336.06
IUPAC Name5-bromo-4-N-[2-(2-methoxyphenyl)ethyl]-6-N-methylpyrimidine-4,6-diamine
SMILESCNc1ncnc(NCCc2ccccc2OC)c1Br
InChIInChI=1S/C14H17BrN4O/c1-16-13-12(15)14(19-9-18-13)17-8-7-10-5-3-4-6-11(10)20-2/h3-6,9H,7-8H2,1-2H3,(H2,16,17,18,19)
InChIKeyCEQSQUBEHFVUJZ-UHFFFAOYSA-N
XLogP2.94
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-6-hydrazinyl-N-[2-(2-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 106262742
5-bromo-4-N-[2-(2-methoxyphenyl)ethyl]-2-N-methylpyrimidine-2,4-diamine
CID 106262690
5-bromo-6-N-methyl-4-N-[(2-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 114072011
5-bromo-4-N-[2-(5-bromothiophen-2-yl)ethyl]-6-N-methylpyrimidine-4,6-diamine
CID 106043160
5-bromo-6-methyl-N-[2-(2-propylphenoxy)ethyl]pyrimidin-4-amine
CID 13075408
5-bromo-4-N-[2-(2-methylphenyl)ethyl]pyrimidine-4,6-diamine
CID 114072528
N-[2-(2-methoxyphenyl)ethyl]-6-[2-(methylamino)pyrimidin-5-yl]pyrimidin-4-amine
CID 123763987
5-bromo-2-[2-(2-methoxyphenyl)ethylamino]pyridine-3-carboxylic acid
CID 106261575
6-N-butyl-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4,6-diamine
CID 112855105
4-N-(3,5-dimethylphenyl)-6-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4,6-diamine
CID 112861517
8-methoxy-N-[2-(2-methoxyphenyl)ethyl]-5H-pyrimido[5,4-b]indol-4-amine
CID 939389
5-amino-6-[2-(2-methoxyphenyl)ethylamino]pyridine-3-carbonitrile
CID 106259794

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-N-[2-(2-methoxyphenyl)ethyl]-6-N-methylpyrimidine-4,6-diamine?
The IUPAC name of 5-bromo-4-N-[2-(2-methoxyphenyl)ethyl]-6-N-methylpyrimidine-4,6-diamine (CID 106262696) is 5-bromo-4-N-[2-(2-methoxyphenyl)ethyl]-6-N-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 5-bromo-4-N-[2-(2-methoxyphenyl)ethyl]-6-N-methylpyrimidine-4,6-diamine?
The canonical SMILES for 5-bromo-4-N-[2-(2-methoxyphenyl)ethyl]-6-N-methylpyrimidine-4,6-diamine is CNc1ncnc(NCCc2ccccc2OC)c1Br.
What is the InChIKey of 5-bromo-4-N-[2-(2-methoxyphenyl)ethyl]-6-N-methylpyrimidine-4,6-diamine?
The InChIKey is CEQSQUBEHFVUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4O/c1-16-13-12(15)14(19-9-18-13)17-8-7-10-5-3-4-6-11(10)20-2/h3-6,9H,7-8H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 5-bromo-4-N-[2-(2-methoxyphenyl)ethyl]-6-N-methylpyrimidine-4,6-diamine?
5-bromo-4-N-[2-(2-methoxyphenyl)ethyl]-6-N-methylpyrimidine-4,6-diamine has a molecular weight of 337.22 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-N-[2-(2-methoxyphenyl)ethyl]-6-N-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 106262696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).