5-bromo-4-N-(4-methoxybutyl)-2-N-methylpyrimidine-2,4-diamine

C10H17BrN4O — CID 80813067

IUPAC5-bromo-4-N-(4-methoxybutyl)-2-N-methylpyrimidine-2,4-diamine
SMILESCNc1ncc(Br)c(NCCCCOC)n1
InChIInChI=1S/C10H17BrN4O/c1-12-10-14-7-8(11)9(15-10)13-5-3-4-6-16-2/h7H,3-6H2,1-2H3,(H2,12,13,14,15)
InChIKeyWPNWILUMLYJZER-UHFFFAOYSA-N
MW289.18 g/mol
LogP2.12
Rot. Bonds7

About 5-bromo-4-N-(4-methoxybutyl)-2-N-methylpyrimidine-2,4-diamine

5-bromo-4-N-(4-methoxybutyl)-2-N-methylpyrimidine-2,4-diamine (PubChem CID 80813067) has the molecular formula C10H17BrN4O and a molecular weight of 289.18 g/mol. Its IUPAC name is 5-bromo-4-N-(4-methoxybutyl)-2-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-bromo-4-N-(4-methoxybutyl)-2-N-methylpyrimidine-2,4-diamine
PubChem CID80813067
Molecular FormulaC10H17BrN4O
Molecular Weight289.18 g/mol
Exact Mass288.06
IUPAC Name5-bromo-4-N-(4-methoxybutyl)-2-N-methylpyrimidine-2,4-diamine
SMILESCNc1ncc(Br)c(NCCCCOC)n1
InChIInChI=1S/C10H17BrN4O/c1-12-10-14-7-8(11)9(15-10)13-5-3-4-6-16-2/h7H,3-6H2,1-2H3,(H2,12,13,14,15)
InChIKeyWPNWILUMLYJZER-UHFFFAOYSA-N
XLogP2.12
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.18
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-bromo-2-N-ethyl-4-N-(4-methoxybutyl)pyrimidine-2,4-diamine
CID 80813928
5-bromo-4-N-decyl-2-N-methylpyrimidine-2,4-diamine
CID 80854822
3-[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 80771885
2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]ethanol
CID 80766138
5-bromo-4-methoxy-N-(4-methoxybutyl)pyrimidin-2-amine
CID 103745831
5-bromo-4-N-[2-(2-methoxyphenyl)ethyl]-2-N-methylpyrimidine-2,4-diamine
CID 106262690
5-bromo-N-(2-methoxyethyl)-2-methylpyrimidin-4-amine
CID 119026670
5-bromo-4-N-octyl-2-N-propylpyrimidine-2,4-diamine
CID 115565375
5-bromo-4-N-(3-ethoxypropyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80773193
5-bromo-4-N-[2-(4-chlorophenyl)ethyl]-2-N-methylpyrimidine-2,4-diamine
CID 80794844
3-[2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]ethyl]-1,1-dimethylurea
CID 83117722
5-bromo-2-N-methyl-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-2,4-diamine
CID 114185566

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-N-(4-methoxybutyl)-2-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 5-bromo-4-N-(4-methoxybutyl)-2-N-methylpyrimidine-2,4-diamine (CID 80813067) is 5-bromo-4-N-(4-methoxybutyl)-2-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-bromo-4-N-(4-methoxybutyl)-2-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 5-bromo-4-N-(4-methoxybutyl)-2-N-methylpyrimidine-2,4-diamine is CNc1ncc(Br)c(NCCCCOC)n1.
What is the InChIKey of 5-bromo-4-N-(4-methoxybutyl)-2-N-methylpyrimidine-2,4-diamine?
The InChIKey is WPNWILUMLYJZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrN4O/c1-12-10-14-7-8(11)9(15-10)13-5-3-4-6-16-2/h7H,3-6H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 5-bromo-4-N-(4-methoxybutyl)-2-N-methylpyrimidine-2,4-diamine?
5-bromo-4-N-(4-methoxybutyl)-2-N-methylpyrimidine-2,4-diamine has a molecular weight of 289.18 g/mol, XLogP of 2.12, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-N-(4-methoxybutyl)-2-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 80813067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).