5-bromo-2-N-ethyl-4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-2,4-diamine

C13H19BrN6 — CID 80848491

IUPAC5-bromo-2-N-ethyl-4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-2,4-diamine
SMILESCCNc1ncc(Br)c(NCc2c(C)nn(C)c2C)n1
InChIInChI=1S/C13H19BrN6/c1-5-15-13-17-7-11(14)12(18-13)16-6-10-8(2)19-20(4)9(10)3/h7H,5-6H2,1-4H3,(H2,15,16,17,18)
InChIKeyLWKPIZZVGQYHAR-UHFFFAOYSA-N
MW339.24 g/mol
LogP2.63
Rot. Bonds5

About 5-bromo-2-N-ethyl-4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-2,4-diamine

5-bromo-2-N-ethyl-4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-2,4-diamine (PubChem CID 80848491) has the molecular formula C13H19BrN6 and a molecular weight of 339.24 g/mol. Its IUPAC name is 5-bromo-2-N-ethyl-4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-bromo-2-N-ethyl-4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-2,4-diamine
PubChem CID80848491
Molecular FormulaC13H19BrN6
Molecular Weight339.24 g/mol
Exact Mass338.09
IUPAC Name5-bromo-2-N-ethyl-4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-2,4-diamine
SMILESCCNc1ncc(Br)c(NCc2c(C)nn(C)c2C)n1
InChIInChI=1S/C13H19BrN6/c1-5-15-13-17-7-11(14)12(18-13)16-6-10-8(2)19-20(4)9(10)3/h7H,5-6H2,1-4H3,(H2,15,16,17,18)
InChIKeyLWKPIZZVGQYHAR-UHFFFAOYSA-N
XLogP2.63
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.24
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-bromo-2-N-ethyl-4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-2,4-diamine with MolForge

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Related Compounds

5-bromo-2-N-ethyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine
CID 80829597
5-chloro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidin-2-amine
CID 79556372
5-bromo-2-N-ethyl-4-N-[(4-ethylphenyl)methyl]pyrimidine-2,4-diamine
CID 106901022
5-bromo-2-N-ethyl-4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine
CID 80807441
2,5-dichloro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidin-4-amine
CID 79633437
4-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidin-2-amine
CID 78995441
5-bromo-4-N-[(4-bromothiophen-2-yl)methyl]-2-N-ethylpyrimidine-2,4-diamine
CID 80836657
5-bromo-2-N-ethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine
CID 80776985
3-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazine-2,3-diamine
CID 113243769
3,5-difluoro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridin-2-amine
CID 112675968
3-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinoxalin-2-amine
CID 79033643
6-N,5-dimethyl-4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-4,6-diamine
CID 80848886

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-N-ethyl-4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-bromo-2-N-ethyl-4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-2,4-diamine (CID 80848491) is 5-bromo-2-N-ethyl-4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-bromo-2-N-ethyl-4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-bromo-2-N-ethyl-4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-2,4-diamine is CCNc1ncc(Br)c(NCc2c(C)nn(C)c2C)n1.
What is the InChIKey of 5-bromo-2-N-ethyl-4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-2,4-diamine?
The InChIKey is LWKPIZZVGQYHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN6/c1-5-15-13-17-7-11(14)12(18-13)16-6-10-8(2)19-20(4)9(10)3/h7H,5-6H2,1-4H3,(H2,15,16,17,18).
What are the key properties of 5-bromo-2-N-ethyl-4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-2,4-diamine?
5-bromo-2-N-ethyl-4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-2,4-diamine has a molecular weight of 339.24 g/mol, XLogP of 2.63, 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-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 80848491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).