5-bromo-4-N-methyl-2-N-propylpyrimidine-2,4-diamine

C8H13BrN4 — CID 80769891

IUPAC5-bromo-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(Br)c(NC)n1
InChIInChI=1S/C8H13BrN4/c1-3-4-11-8-12-5-6(9)7(10-2)13-8/h5H,3-4H2,1-2H3,(H2,10,11,12,13)
InChIKeyBKKIWOZYQJIFFG-UHFFFAOYSA-N
MW245.12 g/mol
LogP2.10
Rot. Bonds4

About 5-bromo-4-N-methyl-2-N-propylpyrimidine-2,4-diamine

5-bromo-4-N-methyl-2-N-propylpyrimidine-2,4-diamine (PubChem CID 80769891) has the molecular formula C8H13BrN4 and a molecular weight of 245.12 g/mol. Its IUPAC name is 5-bromo-4-N-methyl-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-bromo-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
PubChem CID80769891
Molecular FormulaC8H13BrN4
Molecular Weight245.12 g/mol
Exact Mass244.03
IUPAC Name5-bromo-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(Br)c(NC)n1
InChIInChI=1S/C8H13BrN4/c1-3-4-11-8-12-5-6(9)7(10-2)13-8/h5H,3-4H2,1-2H3,(H2,10,11,12,13)
InChIKeyBKKIWOZYQJIFFG-UHFFFAOYSA-N
XLogP2.10
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.12
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-N-tert-butyl-2-N-propylpyrimidine-2,4-diamine
CID 80768856
5-bromo-4-N-octyl-2-N-propylpyrimidine-2,4-diamine
CID 115565375
5-bromo-4-N-cyclobutyl-2-N-propylpyrimidine-2,4-diamine
CID 80826452
5-bromo-4-N-(2,3-dimethylbutyl)-2-N-propylpyrimidine-2,4-diamine
CID 80845273
2-[[5-bromo-2-(propylamino)pyrimidin-4-yl]amino]propane-1,3-diol
CID 80843445
5-bromo-2-N-propyl-4-N-(2,3,3-trimethylbutyl)pyrimidine-2,4-diamine
CID 83147667
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
5-bromo-4-N-[(4-methylcyclohexyl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 80828904
5-bromo-4-propoxy-N-propylpyrimidin-2-amine
CID 80865318
5-bromo-4-N-decyl-2-N-methylpyrimidine-2,4-diamine
CID 80854822
5-bromo-4-N-(3-methylcyclopentyl)-2-N-propylpyrimidine-2,4-diamine
CID 114541901

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-N-methyl-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 5-bromo-4-N-methyl-2-N-propylpyrimidine-2,4-diamine (CID 80769891) is 5-bromo-4-N-methyl-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-bromo-4-N-methyl-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 5-bromo-4-N-methyl-2-N-propylpyrimidine-2,4-diamine is CCCNc1ncc(Br)c(NC)n1.
What is the InChIKey of 5-bromo-4-N-methyl-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is BKKIWOZYQJIFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13BrN4/c1-3-4-11-8-12-5-6(9)7(10-2)13-8/h5H,3-4H2,1-2H3,(H2,10,11,12,13).
What are the key properties of 5-bromo-4-N-methyl-2-N-propylpyrimidine-2,4-diamine?
5-bromo-4-N-methyl-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 245.12 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-N-methyl-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 80769891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).