5-bromo-4-N-(2,3-dimethylbutyl)-2-N-propylpyrimidine-2,4-diamine

C13H23BrN4 — CID 80845273

IUPAC5-bromo-4-N-(2,3-dimethylbutyl)-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(Br)c(NCC(C)C(C)C)n1
InChIInChI=1S/C13H23BrN4/c1-5-6-15-13-17-8-11(14)12(18-13)16-7-10(4)9(2)3/h8-10H,5-7H2,1-4H3,(H2,15,16,17,18)
InChIKeyYNGUUMSFGMQOEJ-UHFFFAOYSA-N
MW315.26 g/mol
LogP3.77
Rot. Bonds7

About 5-bromo-4-N-(2,3-dimethylbutyl)-2-N-propylpyrimidine-2,4-diamine

5-bromo-4-N-(2,3-dimethylbutyl)-2-N-propylpyrimidine-2,4-diamine (PubChem CID 80845273) has the molecular formula C13H23BrN4 and a molecular weight of 315.26 g/mol. Its IUPAC name is 5-bromo-4-N-(2,3-dimethylbutyl)-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-bromo-4-N-(2,3-dimethylbutyl)-2-N-propylpyrimidine-2,4-diamine
PubChem CID80845273
Molecular FormulaC13H23BrN4
Molecular Weight315.26 g/mol
Exact Mass314.11
IUPAC Name5-bromo-4-N-(2,3-dimethylbutyl)-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(Br)c(NCC(C)C(C)C)n1
InChIInChI=1S/C13H23BrN4/c1-5-6-15-13-17-8-11(14)12(18-13)16-7-10(4)9(2)3/h8-10H,5-7H2,1-4H3,(H2,15,16,17,18)
InChIKeyYNGUUMSFGMQOEJ-UHFFFAOYSA-N
XLogP3.77
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.26
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-N-propyl-4-N-(2,3,3-trimethylbutyl)pyrimidine-2,4-diamine
CID 83147667
5-bromo-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80769891
5-bromo-4-N-octyl-2-N-propylpyrimidine-2,4-diamine
CID 115565375
5-bromo-4-N-tert-butyl-2-N-propylpyrimidine-2,4-diamine
CID 80768856
3-[[5-bromo-2-(propylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 83179478
5-bromo-4-N-[1-(dimethylamino)propan-2-yl]-2-N-propylpyrimidine-2,4-diamine
CID 82949363
2-[[5-bromo-2-(propylamino)pyrimidin-4-yl]amino]propane-1,3-diol
CID 80843445
2-[[5-bromo-2-(propylamino)pyrimidin-4-yl]amino]-3-methylbutanamide
CID 106347577
5-methyl-4-N-(3-methyl-2-propan-2-ylbutyl)-2-N-propylpyrimidine-2,4-diamine
CID 102908907
5-bromo-4-N-cyclobutyl-2-N-propylpyrimidine-2,4-diamine
CID 80826452
5-bromo-4-N-[(4-methylcyclohexyl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 80828904
5-bromo-2-N-propyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-diamine
CID 80845683

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-N-(2,3-dimethylbutyl)-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 5-bromo-4-N-(2,3-dimethylbutyl)-2-N-propylpyrimidine-2,4-diamine (CID 80845273) is 5-bromo-4-N-(2,3-dimethylbutyl)-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-bromo-4-N-(2,3-dimethylbutyl)-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 5-bromo-4-N-(2,3-dimethylbutyl)-2-N-propylpyrimidine-2,4-diamine is CCCNc1ncc(Br)c(NCC(C)C(C)C)n1.
What is the InChIKey of 5-bromo-4-N-(2,3-dimethylbutyl)-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is YNGUUMSFGMQOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23BrN4/c1-5-6-15-13-17-8-11(14)12(18-13)16-7-10(4)9(2)3/h8-10H,5-7H2,1-4H3,(H2,15,16,17,18).
What are the key properties of 5-bromo-4-N-(2,3-dimethylbutyl)-2-N-propylpyrimidine-2,4-diamine?
5-bromo-4-N-(2,3-dimethylbutyl)-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 315.26 g/mol, XLogP of 3.77, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-N-(2,3-dimethylbutyl)-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 80845273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).