5-bromo-2-N-ethyl-4-N-(3-ethyl-1-methylpyrazol-4-yl)pyrimidine-2,4-diamine

C12H17BrN6 — CID 107465162

IUPAC5-bromo-2-N-ethyl-4-N-(3-ethyl-1-methylpyrazol-4-yl)pyrimidine-2,4-diamine
SMILESCCNc1ncc(Br)c(Nc2cn(C)nc2CC)n1
InChIInChI=1S/C12H17BrN6/c1-4-9-10(7-19(3)18-9)16-11-8(13)6-15-12(17-11)14-5-2/h6-7H,4-5H2,1-3H3,(H2,14,15,16,17)
InChIKeyCCSPTOKXSUGKFO-UHFFFAOYSA-N
MW325.21 g/mol
LogP2.71
Rot. Bonds5

About 5-bromo-2-N-ethyl-4-N-(3-ethyl-1-methylpyrazol-4-yl)pyrimidine-2,4-diamine

5-bromo-2-N-ethyl-4-N-(3-ethyl-1-methylpyrazol-4-yl)pyrimidine-2,4-diamine (PubChem CID 107465162) has the molecular formula C12H17BrN6 and a molecular weight of 325.21 g/mol. Its IUPAC name is 5-bromo-2-N-ethyl-4-N-(3-ethyl-1-methylpyrazol-4-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-bromo-2-N-ethyl-4-N-(3-ethyl-1-methylpyrazol-4-yl)pyrimidine-2,4-diamine
PubChem CID107465162
Molecular FormulaC12H17BrN6
Molecular Weight325.21 g/mol
Exact Mass324.07
IUPAC Name5-bromo-2-N-ethyl-4-N-(3-ethyl-1-methylpyrazol-4-yl)pyrimidine-2,4-diamine
SMILESCCNc1ncc(Br)c(Nc2cn(C)nc2CC)n1
InChIInChI=1S/C12H17BrN6/c1-4-9-10(7-19(3)18-9)16-11-8(13)6-15-12(17-11)14-5-2/h6-7H,4-5H2,1-3H3,(H2,14,15,16,17)
InChIKeyCCSPTOKXSUGKFO-UHFFFAOYSA-N
XLogP2.71
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-ethyl-1-methylpyrazol-4-yl)-2-hydrazinyl-5-methylpyrimidin-4-amine
CID 107465309
5-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-2-hydrazinylpyrimidin-4-amine
CID 107465311
2-N-ethyl-4-N-(3-ethyl-1-methylpyrazol-4-yl)pyrimidine-2,4-diamine
CID 107465221
5-bromo-4-N-(5-bromo-2-methylphenyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80788736
5-bromo-2-N-ethyl-4-N-(2,4,5-trichlorophenyl)pyrimidine-2,4-diamine
CID 80759727
5-bromo-2-N-ethyl-4-N-(2-methylphenyl)pyrimidine-2,4-diamine
CID 80754775
5-bromo-4-N-(5-bromo-2,4-difluorophenyl)-2-N-ethylpyrimidine-2,4-diamine
CID 102855605
5-bromo-4-N-(2-chlorophenyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80760864
5-bromo-2-N-ethyl-4-N-(5-fluoro-2-methylphenyl)pyrimidine-2,4-diamine
CID 80762209
N-(3-ethyl-1-methylpyrazol-4-yl)-5-iodopyrimidin-2-amine
CID 104844292
5-bromo-4-N-(2-tert-butylphenyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80822328
2-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-5-methylpyrimidin-4-amine
CID 107464314

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-N-ethyl-4-N-(3-ethyl-1-methylpyrazol-4-yl)pyrimidine-2,4-diamine?
The IUPAC name of 5-bromo-2-N-ethyl-4-N-(3-ethyl-1-methylpyrazol-4-yl)pyrimidine-2,4-diamine (CID 107465162) is 5-bromo-2-N-ethyl-4-N-(3-ethyl-1-methylpyrazol-4-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-bromo-2-N-ethyl-4-N-(3-ethyl-1-methylpyrazol-4-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-bromo-2-N-ethyl-4-N-(3-ethyl-1-methylpyrazol-4-yl)pyrimidine-2,4-diamine is CCNc1ncc(Br)c(Nc2cn(C)nc2CC)n1.
What is the InChIKey of 5-bromo-2-N-ethyl-4-N-(3-ethyl-1-methylpyrazol-4-yl)pyrimidine-2,4-diamine?
The InChIKey is CCSPTOKXSUGKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN6/c1-4-9-10(7-19(3)18-9)16-11-8(13)6-15-12(17-11)14-5-2/h6-7H,4-5H2,1-3H3,(H2,14,15,16,17).
What are the key properties of 5-bromo-2-N-ethyl-4-N-(3-ethyl-1-methylpyrazol-4-yl)pyrimidine-2,4-diamine?
5-bromo-2-N-ethyl-4-N-(3-ethyl-1-methylpyrazol-4-yl)pyrimidine-2,4-diamine has a molecular weight of 325.21 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-N-ethyl-4-N-(3-ethyl-1-methylpyrazol-4-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 107465162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).