5-bromo-4-N-ethyl-4-N-(2-methylphenyl)-2-N-propylpyrimidine-2,4-diamine

C16H21BrN4 — CID 80757604

IUPAC5-bromo-4-N-ethyl-4-N-(2-methylphenyl)-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(Br)c(N(CC)c2ccccc2C)n1
InChIInChI=1S/C16H21BrN4/c1-4-10-18-16-19-11-13(17)15(20-16)21(5-2)14-9-7-6-8-12(14)3/h6-9,11H,4-5,10H2,1-3H3,(H,18,19,20)
InChIKeyMSIJYSVYBCWUJW-UHFFFAOYSA-N
MW349.28 g/mol
LogP4.53
Rot. Bonds6

About 5-bromo-4-N-ethyl-4-N-(2-methylphenyl)-2-N-propylpyrimidine-2,4-diamine

5-bromo-4-N-ethyl-4-N-(2-methylphenyl)-2-N-propylpyrimidine-2,4-diamine (PubChem CID 80757604) has the molecular formula C16H21BrN4 and a molecular weight of 349.28 g/mol. Its IUPAC name is 5-bromo-4-N-ethyl-4-N-(2-methylphenyl)-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-bromo-4-N-ethyl-4-N-(2-methylphenyl)-2-N-propylpyrimidine-2,4-diamine
PubChem CID80757604
Molecular FormulaC16H21BrN4
Molecular Weight349.28 g/mol
Exact Mass348.09
IUPAC Name5-bromo-4-N-ethyl-4-N-(2-methylphenyl)-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(Br)c(N(CC)c2ccccc2C)n1
InChIInChI=1S/C16H21BrN4/c1-4-10-18-16-19-11-13(17)15(20-16)21(5-2)14-9-7-6-8-12(14)3/h6-9,11H,4-5,10H2,1-3H3,(H,18,19,20)
InChIKeyMSIJYSVYBCWUJW-UHFFFAOYSA-N
XLogP4.53
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.28
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N,4-N-diethyl-5-methyl-4-N-(2-methylphenyl)pyrimidine-2,4-diamine
CID 80753509
N-ethyl-5-fluoro-2-hydrazinyl-N-(2-methylphenyl)pyrimidin-4-amine
CID 80916335
5-chloro-4-N-ethyl-4-N-phenyl-2-N-propylpyrimidine-2,4-diamine
CID 80755875
5-bromo-4-N-(5-bromo-2-methylphenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80789415
2-N,4-N-diethyl-4-N-(2-fluorophenyl)-5-methylpyrimidine-2,4-diamine
CID 80817690
5-bromo-4-N-methyl-2-N-propyl-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 80788051
4-N-benzyl-4-N,5-dimethyl-2-N-propylpyrimidine-2,4-diamine
CID 80753731
5-bromo-2-N,4-N-diethyl-4-N-(4-fluorophenyl)pyrimidine-2,4-diamine
CID 80818351
5-bromo-4-N-(5-fluoro-2-methylphenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80761631
4-N,6-N-diethyl-2,5-dimethyl-4-N-(2-methylphenyl)pyrimidine-4,6-diamine
CID 80757142
5-bromo-3-chloro-N-ethyl-N-(2-methylphenyl)pyridin-2-amine
CID 103583130
3-[[5-bromo-2-(propylamino)pyrimidin-4-yl]-ethylamino]-2-methylpropanenitrile
CID 80806926

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-N-ethyl-4-N-(2-methylphenyl)-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 5-bromo-4-N-ethyl-4-N-(2-methylphenyl)-2-N-propylpyrimidine-2,4-diamine (CID 80757604) is 5-bromo-4-N-ethyl-4-N-(2-methylphenyl)-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-bromo-4-N-ethyl-4-N-(2-methylphenyl)-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 5-bromo-4-N-ethyl-4-N-(2-methylphenyl)-2-N-propylpyrimidine-2,4-diamine is CCCNc1ncc(Br)c(N(CC)c2ccccc2C)n1.
What is the InChIKey of 5-bromo-4-N-ethyl-4-N-(2-methylphenyl)-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is MSIJYSVYBCWUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN4/c1-4-10-18-16-19-11-13(17)15(20-16)21(5-2)14-9-7-6-8-12(14)3/h6-9,11H,4-5,10H2,1-3H3,(H,18,19,20).
What are the key properties of 5-bromo-4-N-ethyl-4-N-(2-methylphenyl)-2-N-propylpyrimidine-2,4-diamine?
5-bromo-4-N-ethyl-4-N-(2-methylphenyl)-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 349.28 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-N-ethyl-4-N-(2-methylphenyl)-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 80757604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).