4-N-(5-bromo-2-methoxyphenyl)-6-N,2-diethylpyrimidine-4,6-diamine

C15H19BrN4O — CID 80940149

IUPAC4-N-(5-bromo-2-methoxyphenyl)-6-N,2-diethylpyrimidine-4,6-diamine
SMILESCCNc1cc(Nc2cc(Br)ccc2OC)nc(CC)n1
InChIInChI=1S/C15H19BrN4O/c1-4-13-19-14(17-5-2)9-15(20-13)18-11-8-10(16)6-7-12(11)21-3/h6-9H,4-5H2,1-3H3,(H2,17,18,19,20)
InChIKeyXNXNCOQYRKVEKD-UHFFFAOYSA-N
MW351.25 g/mol
LogP3.99
Rot. Bonds6

About 4-N-(5-bromo-2-methoxyphenyl)-6-N,2-diethylpyrimidine-4,6-diamine

4-N-(5-bromo-2-methoxyphenyl)-6-N,2-diethylpyrimidine-4,6-diamine (PubChem CID 80940149) has the molecular formula C15H19BrN4O and a molecular weight of 351.25 g/mol. Its IUPAC name is 4-N-(5-bromo-2-methoxyphenyl)-6-N,2-diethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(5-bromo-2-methoxyphenyl)-6-N,2-diethylpyrimidine-4,6-diamine
PubChem CID80940149
Molecular FormulaC15H19BrN4O
Molecular Weight351.25 g/mol
Exact Mass350.07
IUPAC Name4-N-(5-bromo-2-methoxyphenyl)-6-N,2-diethylpyrimidine-4,6-diamine
SMILESCCNc1cc(Nc2cc(Br)ccc2OC)nc(CC)n1
InChIInChI=1S/C15H19BrN4O/c1-4-13-19-14(17-5-2)9-15(20-13)18-11-8-10(16)6-7-12(11)21-3/h6-9H,4-5H2,1-3H3,(H2,17,18,19,20)
InChIKeyXNXNCOQYRKVEKD-UHFFFAOYSA-N
XLogP3.99
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 ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(5-chloro-2-methoxyphenyl)-6-N-ethyl-2-methylpyrimidine-4,6-diamine
CID 80762755
6-N-ethyl-4-N-(2-methoxy-5-methylphenyl)pyrimidine-2,4,6-triamine
CID 80763447
4-N-(5-bromo-2-methoxyphenyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80785157
4-N-(2-bromo-4-chlorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 81272137
4-N-(2-ethoxyphenyl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 80939464
4-N-(4-bromo-2-chlorophenyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine
CID 80939644
4-N-(5-chloro-2-methoxyphenyl)-6-N-ethyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80737949
4-N-(5-bromo-2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 80804517
4-N-(4-bromo-2,5-difluorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 107608393
6-N,2-diethyl-4-N-(2-fluorophenyl)pyrimidine-4,6-diamine
CID 80933584
6-N-(5-bromo-2-methoxyphenyl)-2-N-methylpyridine-2,6-diamine
CID 80804696
6-[(4-bromophenyl)methoxy]-N,2-diethylpyrimidin-4-amine
CID 82825534

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-bromo-2-methoxyphenyl)-6-N,2-diethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(5-bromo-2-methoxyphenyl)-6-N,2-diethylpyrimidine-4,6-diamine (CID 80940149) is 4-N-(5-bromo-2-methoxyphenyl)-6-N,2-diethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(5-bromo-2-methoxyphenyl)-6-N,2-diethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(5-bromo-2-methoxyphenyl)-6-N,2-diethylpyrimidine-4,6-diamine is CCNc1cc(Nc2cc(Br)ccc2OC)nc(CC)n1.
What is the InChIKey of 4-N-(5-bromo-2-methoxyphenyl)-6-N,2-diethylpyrimidine-4,6-diamine?
The InChIKey is XNXNCOQYRKVEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN4O/c1-4-13-19-14(17-5-2)9-15(20-13)18-11-8-10(16)6-7-12(11)21-3/h6-9H,4-5H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 4-N-(5-bromo-2-methoxyphenyl)-6-N,2-diethylpyrimidine-4,6-diamine?
4-N-(5-bromo-2-methoxyphenyl)-6-N,2-diethylpyrimidine-4,6-diamine has a molecular weight of 351.25 g/mol, XLogP of 3.99, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-bromo-2-methoxyphenyl)-6-N,2-diethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80940149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).