5-bromo-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine

C7H11BrN4O — CID 58796082

IUPAC5-bromo-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine
SMILESCOCCNc1nc(N)ncc1Br
InChIInChI=1S/C7H11BrN4O/c1-13-3-2-10-6-5(8)4-11-7(9)12-6/h4H,2-3H2,1H3,(H3,9,10,11,12)
InChIKeyNTKOSEYTLYIRMQ-UHFFFAOYSA-N
MW247.10 g/mol
LogP0.88
Rot. Bonds4

About 5-bromo-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine

5-bromo-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine (PubChem CID 58796082) has the molecular formula C7H11BrN4O and a molecular weight of 247.10 g/mol. Its IUPAC name is 5-bromo-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-bromo-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine
PubChem CID58796082
Molecular FormulaC7H11BrN4O
Molecular Weight247.10 g/mol
Exact Mass246.01
IUPAC Name5-bromo-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine
SMILESCOCCNc1nc(N)ncc1Br
InChIInChI=1S/C7H11BrN4O/c1-13-3-2-10-6-5(8)4-11-7(9)12-6/h4H,2-3H2,1H3,(H3,9,10,11,12)
InChIKeyNTKOSEYTLYIRMQ-UHFFFAOYSA-N
XLogP0.88
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.10
LogP ≤ 50.88
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

4-(5-Bromopyrimidin-2-yl)morpholine
CID 5144362
5-Bromo-2-ethoxypyrimidine
CID 16427141
5-Bromopyrimidine-2,4-diamine
CID 23423590
5-bromo-N-cyclopropylpyrimidin-4-amine
CID 66341876
5-fluoro-N-methyl-2-(morpholin-4-yl)pyrimidin-4-amine
CID 3121396
5-bromo-2-chloro-N-methylpyrimidin-4-amine
CID 10727771
5-Bromo-2-methoxypyrimidin-4-amine
CID 45789781
2-(Methoxymethyl)pyrimidin-4-amine
CID 53407629
5-Bromo-2-(methoxymethyl)pyrimidine
CID 89881653
5-bromo-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]pyrimidin-2-amine
CID 71981394
5-Bromo-N-ethylpyrimidin-2-amine
CID 46739544
Pyrimidine, 2-amino-5-bromo-4-methylamino-
CID 56923644

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-bromo-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine (CID 58796082) is 5-bromo-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-bromo-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-bromo-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine is COCCNc1nc(N)ncc1Br.
What is the InChIKey of 5-bromo-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine?
The InChIKey is NTKOSEYTLYIRMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11BrN4O/c1-13-3-2-10-6-5(8)4-11-7(9)12-6/h4H,2-3H2,1H3,(H3,9,10,11,12).
What are the key properties of 5-bromo-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine?
5-bromo-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine has a molecular weight of 247.10 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 58796082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).