5-bromo-2-N-ethyl-4-N-(2-methylcyclohexyl)pyrimidine-2,4-diamine

C13H21BrN4 — CID 80777337

IUPAC5-bromo-2-N-ethyl-4-N-(2-methylcyclohexyl)pyrimidine-2,4-diamine
SMILESCCNc1ncc(Br)c(NC2CCCCC2C)n1
InChIInChI=1S/C13H21BrN4/c1-3-15-13-16-8-10(14)12(18-13)17-11-7-5-4-6-9(11)2/h8-9,11H,3-7H2,1-2H3,(H2,15,16,17,18)
InChIKeyMLUSMBBBLZKFKF-UHFFFAOYSA-N
MW313.24 g/mol
LogP3.66
Rot. Bonds4

About 5-bromo-2-N-ethyl-4-N-(2-methylcyclohexyl)pyrimidine-2,4-diamine

5-bromo-2-N-ethyl-4-N-(2-methylcyclohexyl)pyrimidine-2,4-diamine (PubChem CID 80777337) has the molecular formula C13H21BrN4 and a molecular weight of 313.24 g/mol. Its IUPAC name is 5-bromo-2-N-ethyl-4-N-(2-methylcyclohexyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-bromo-2-N-ethyl-4-N-(2-methylcyclohexyl)pyrimidine-2,4-diamine
PubChem CID80777337
Molecular FormulaC13H21BrN4
Molecular Weight313.24 g/mol
Exact Mass312.09
IUPAC Name5-bromo-2-N-ethyl-4-N-(2-methylcyclohexyl)pyrimidine-2,4-diamine
SMILESCCNc1ncc(Br)c(NC2CCCCC2C)n1
InChIInChI=1S/C13H21BrN4/c1-3-15-13-16-8-10(14)12(18-13)17-11-7-5-4-6-9(11)2/h8-9,11H,3-7H2,1-2H3,(H2,15,16,17,18)
InChIKeyMLUSMBBBLZKFKF-UHFFFAOYSA-N
XLogP3.66
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-ethyl-5-fluoro-4-N-(2-methylcyclohexyl)pyrimidine-2,4-diamine
CID 80777660
5-bromo-2-chloro-N-(2-methylcycloheptyl)pyrimidin-4-amine
CID 79074019
4-N-(2,3-dimethylcyclohexyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 80777222
5-bromo-4-N-(2-cyclopentylethyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80790917
5-methyl-4-N-(2-methylcycloheptyl)-2-N-propylpyrimidine-2,4-diamine
CID 80847547
2-N-ethyl-4-N-(2-methylcycloheptyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103328619
5-bromo-4-N-cyclobutyl-2-N-propylpyrimidine-2,4-diamine
CID 80826452
2-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]amino]-2-(hydroxymethyl)propane-1,3-diol
CID 114009560
5-bromo-4-methoxy-N-(2-methylcycloheptyl)pyrimidin-2-amine
CID 106997817
4-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-5-bromo-2-N-propylpyrimidine-2,4-diamine
CID 80784796
2-N-ethyl-4-N-(2-methylcyclopentyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327686
2-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]cyclohexan-1-ol
CID 80919191

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-N-ethyl-4-N-(2-methylcyclohexyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-bromo-2-N-ethyl-4-N-(2-methylcyclohexyl)pyrimidine-2,4-diamine (CID 80777337) is 5-bromo-2-N-ethyl-4-N-(2-methylcyclohexyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-bromo-2-N-ethyl-4-N-(2-methylcyclohexyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-bromo-2-N-ethyl-4-N-(2-methylcyclohexyl)pyrimidine-2,4-diamine is CCNc1ncc(Br)c(NC2CCCCC2C)n1.
What is the InChIKey of 5-bromo-2-N-ethyl-4-N-(2-methylcyclohexyl)pyrimidine-2,4-diamine?
The InChIKey is MLUSMBBBLZKFKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN4/c1-3-15-13-16-8-10(14)12(18-13)17-11-7-5-4-6-9(11)2/h8-9,11H,3-7H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 5-bromo-2-N-ethyl-4-N-(2-methylcyclohexyl)pyrimidine-2,4-diamine?
5-bromo-2-N-ethyl-4-N-(2-methylcyclohexyl)pyrimidine-2,4-diamine has a molecular weight of 313.24 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-N-ethyl-4-N-(2-methylcyclohexyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80777337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).