5-bromo-4-methoxy-N-(4-methoxybutyl)pyrimidin-2-amine

C10H16BrN3O2 — CID 103745831

IUPAC5-bromo-4-methoxy-N-(4-methoxybutyl)pyrimidin-2-amine
SMILESCOCCCCNc1ncc(Br)c(OC)n1
InChIInChI=1S/C10H16BrN3O2/c1-15-6-4-3-5-12-10-13-7-8(11)9(14-10)16-2/h7H,3-6H2,1-2H3,(H,12,13,14)
InChIKeyOQKPPTPCUMYBCH-UHFFFAOYSA-N
MW290.16 g/mol
LogP2.09
Rot. Bonds7

About 5-bromo-4-methoxy-N-(4-methoxybutyl)pyrimidin-2-amine

5-bromo-4-methoxy-N-(4-methoxybutyl)pyrimidin-2-amine (PubChem CID 103745831) has the molecular formula C10H16BrN3O2 and a molecular weight of 290.16 g/mol. Its IUPAC name is 5-bromo-4-methoxy-N-(4-methoxybutyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-4-methoxy-N-(4-methoxybutyl)pyrimidin-2-amine
PubChem CID103745831
Molecular FormulaC10H16BrN3O2
Molecular Weight290.16 g/mol
Exact Mass289.04
IUPAC Name5-bromo-4-methoxy-N-(4-methoxybutyl)pyrimidin-2-amine
SMILESCOCCCCNc1ncc(Br)c(OC)n1
InChIInChI=1S/C10H16BrN3O2/c1-15-6-4-3-5-12-10-13-7-8(11)9(14-10)16-2/h7H,3-6H2,1-2H3,(H,12,13,14)
InChIKeyOQKPPTPCUMYBCH-UHFFFAOYSA-N
XLogP2.09
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.16
LogP ≤ 52.09
H-Bond Donors ≤ 51
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-4-methoxy-N-(2-methoxyethyl)pyrimidin-2-amine
CID 103726573
3-[(5-bromo-4-methoxypyrimidin-2-yl)amino]propane-1-sulfonamide
CID 106997682
5-bromo-2-N-ethyl-4-N-(4-methoxybutyl)pyrimidine-2,4-diamine
CID 80813928
5-[(5-bromo-4-methoxypyrimidin-2-yl)amino]pentan-2-ol
CID 107269299
5-bromo-4-N-(4-methoxybutyl)-2-N-methylpyrimidine-2,4-diamine
CID 80813067
5-bromo-4-(2-methoxyethoxy)-N-propylpyrimidin-2-amine
CID 80858542
5-bromo-4-methoxy-N-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 103746080
2-[(5-bromo-4-methoxypyrimidin-2-yl)amino]-N-(2-methoxyethyl)acetamide
CID 103745777
5-bromo-4-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]pyrimidin-2-amine
CID 103768548
N'-(5-bromo-4-methoxypyrimidin-2-yl)-N-cyclopropylethane-1,2-diamine
CID 106998101
5-bromo-N-(2-cyclobutylethyl)-4-methoxypyrimidin-2-amine
CID 103748709
2-[(5-bromo-4-methoxypyrimidin-2-yl)amino]-N-methylethanesulfonamide
CID 106337859

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methoxy-N-(4-methoxybutyl)pyrimidin-2-amine?
The IUPAC name of 5-bromo-4-methoxy-N-(4-methoxybutyl)pyrimidin-2-amine (CID 103745831) is 5-bromo-4-methoxy-N-(4-methoxybutyl)pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-4-methoxy-N-(4-methoxybutyl)pyrimidin-2-amine?
The canonical SMILES for 5-bromo-4-methoxy-N-(4-methoxybutyl)pyrimidin-2-amine is COCCCCNc1ncc(Br)c(OC)n1.
What is the InChIKey of 5-bromo-4-methoxy-N-(4-methoxybutyl)pyrimidin-2-amine?
The InChIKey is OQKPPTPCUMYBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3O2/c1-15-6-4-3-5-12-10-13-7-8(11)9(14-10)16-2/h7H,3-6H2,1-2H3,(H,12,13,14).
What are the key properties of 5-bromo-4-methoxy-N-(4-methoxybutyl)pyrimidin-2-amine?
5-bromo-4-methoxy-N-(4-methoxybutyl)pyrimidin-2-amine has a molecular weight of 290.16 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methoxy-N-(4-methoxybutyl)pyrimidin-2-amine is sourced from PubChem (CID 103745831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).