6-bromo-2-N-(2,5-diethoxyphenyl)pyrimidine-2,4-diamine

C14H17BrN4O2 — CID 116796223

IUPAC6-bromo-2-N-(2,5-diethoxyphenyl)pyrimidine-2,4-diamine
SMILESCCOc1ccc(OCC)c(Nc2nc(N)cc(Br)n2)c1
InChIInChI=1S/C14H17BrN4O2/c1-3-20-9-5-6-11(21-4-2)10(7-9)17-14-18-12(15)8-13(16)19-14/h5-8H,3-4H2,1-2H3,(H3,16,17,18,19)
InChIKeyCLQPQLMXWZDNLY-UHFFFAOYSA-N
MW353.22 g/mol
LogP3.36
Rot. Bonds6

About 6-bromo-2-N-(2,5-diethoxyphenyl)pyrimidine-2,4-diamine

6-bromo-2-N-(2,5-diethoxyphenyl)pyrimidine-2,4-diamine (PubChem CID 116796223) has the molecular formula C14H17BrN4O2 and a molecular weight of 353.22 g/mol. Its IUPAC name is 6-bromo-2-N-(2,5-diethoxyphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-bromo-2-N-(2,5-diethoxyphenyl)pyrimidine-2,4-diamine
PubChem CID116796223
Molecular FormulaC14H17BrN4O2
Molecular Weight353.22 g/mol
Exact Mass352.05
IUPAC Name6-bromo-2-N-(2,5-diethoxyphenyl)pyrimidine-2,4-diamine
SMILESCCOc1ccc(OCC)c(Nc2nc(N)cc(Br)n2)c1
InChIInChI=1S/C14H17BrN4O2/c1-3-20-9-5-6-11(21-4-2)10(7-9)17-14-18-12(15)8-13(16)19-14/h5-8H,3-4H2,1-2H3,(H3,16,17,18,19)
InChIKeyCLQPQLMXWZDNLY-UHFFFAOYSA-N
XLogP3.36
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.22
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-(2,5-diethoxyphenyl)pyrimidine-2,5-diamine
CID 61146119
4-N-(2,5-diethoxyphenyl)-2-methylbenzene-1,4-diamine
CID 43436266
(2,5-diethoxyphenyl)hydrazine
CID 119006370
2-N-(2,5-diethoxyphenyl)-1,3,4-oxadiazole-2,5-diamine
CID 103436471
6-bromo-2-N-[2-(methoxymethyl)phenyl]pyrimidine-2,4-diamine
CID 116796734
N-(2,5-diethoxyphenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine
CID 64550265
6-bromo-2-N-(2-tert-butylphenyl)pyrimidine-2,4-diamine
CID 116796989
N-(2,5-diethoxyphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine
CID 43439757
5-(2,5-diethoxyanilino)-1,3-thiazole-4-carboxylic acid
CID 64631499
6-bromo-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 116796334
2-[(4-amino-6-bromopyrimidin-2-yl)amino]-4-bromobenzonitrile
CID 107801678
2,5-diethoxy-N-(1,3-thiazol-2-ylmethyl)aniline
CID 63657607

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-N-(2,5-diethoxyphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-bromo-2-N-(2,5-diethoxyphenyl)pyrimidine-2,4-diamine (CID 116796223) is 6-bromo-2-N-(2,5-diethoxyphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-bromo-2-N-(2,5-diethoxyphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-bromo-2-N-(2,5-diethoxyphenyl)pyrimidine-2,4-diamine is CCOc1ccc(OCC)c(Nc2nc(N)cc(Br)n2)c1.
What is the InChIKey of 6-bromo-2-N-(2,5-diethoxyphenyl)pyrimidine-2,4-diamine?
The InChIKey is CLQPQLMXWZDNLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4O2/c1-3-20-9-5-6-11(21-4-2)10(7-9)17-14-18-12(15)8-13(16)19-14/h5-8H,3-4H2,1-2H3,(H3,16,17,18,19).
What are the key properties of 6-bromo-2-N-(2,5-diethoxyphenyl)pyrimidine-2,4-diamine?
6-bromo-2-N-(2,5-diethoxyphenyl)pyrimidine-2,4-diamine has a molecular weight of 353.22 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-N-(2,5-diethoxyphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 116796223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).