5-bromo-N-ethyl-2-(propoxymethyl)pyrimidin-4-amine

C10H16BrN3O — CID 66301436

IUPAC5-bromo-N-ethyl-2-(propoxymethyl)pyrimidin-4-amine
SMILESCCCOCc1ncc(Br)c(NCC)n1
InChIInChI=1S/C10H16BrN3O/c1-3-5-15-7-9-13-6-8(11)10(14-9)12-4-2/h6H,3-5,7H2,1-2H3,(H,12,13,14)
InChIKeyXRCSTNZKBKPHGB-UHFFFAOYSA-N
MW274.16 g/mol
LogP2.60
Rot. Bonds6

About 5-bromo-N-ethyl-2-(propoxymethyl)pyrimidin-4-amine

5-bromo-N-ethyl-2-(propoxymethyl)pyrimidin-4-amine (PubChem CID 66301436) has the molecular formula C10H16BrN3O and a molecular weight of 274.16 g/mol. Its IUPAC name is 5-bromo-N-ethyl-2-(propoxymethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-ethyl-2-(propoxymethyl)pyrimidin-4-amine
PubChem CID66301436
Molecular FormulaC10H16BrN3O
Molecular Weight274.16 g/mol
Exact Mass273.05
IUPAC Name5-bromo-N-ethyl-2-(propoxymethyl)pyrimidin-4-amine
SMILESCCCOCc1ncc(Br)c(NCC)n1
InChIInChI=1S/C10H16BrN3O/c1-3-5-15-7-9-13-6-8(11)10(14-9)12-4-2/h6H,3-5,7H2,1-2H3,(H,12,13,14)
InChIKeyXRCSTNZKBKPHGB-UHFFFAOYSA-N
XLogP2.60
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-ethyl-2-(propylsulfanylmethyl)pyrimidin-4-amine
CID 66304089
5-bromo-N-ethyl-2-(ethylsulfanylmethyl)pyrimidin-4-amine
CID 66302260
5-bromo-2-(2-methoxyethyl)-N-propylpyrimidin-4-amine
CID 66304100
5-bromo-2-[(2-bromophenyl)methyl]-N-ethylpyrimidin-4-amine
CID 66302872
N-ethyl-1-methyl-6-(propoxymethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 63221381
5-bromo-2-(2,2-dimethylpropyl)-N-propylpyrimidin-4-amine
CID 66301652
5-bromo-N-ethyl-2-[(3-methylphenyl)methyl]pyrimidin-4-amine
CID 66303082
N-ethyl-5-iodo-2-(propoxymethyl)-6-propylpyrimidin-4-amine
CID 66307186
5-bromo-4-N-(3-ethoxypropyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80773193
N-[[4-propan-2-yl-2-(propoxymethyl)pyrimidin-5-yl]methyl]ethanamine
CID 114206812
5-bromo-2-(4-ethoxyphenyl)-N-ethylpyrimidin-4-amine
CID 66296065
N-ethyl-2-(propoxymethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 55201490

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethyl-2-(propoxymethyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-N-ethyl-2-(propoxymethyl)pyrimidin-4-amine (CID 66301436) is 5-bromo-N-ethyl-2-(propoxymethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-ethyl-2-(propoxymethyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-ethyl-2-(propoxymethyl)pyrimidin-4-amine is CCCOCc1ncc(Br)c(NCC)n1.
What is the InChIKey of 5-bromo-N-ethyl-2-(propoxymethyl)pyrimidin-4-amine?
The InChIKey is XRCSTNZKBKPHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3O/c1-3-5-15-7-9-13-6-8(11)10(14-9)12-4-2/h6H,3-5,7H2,1-2H3,(H,12,13,14).
What are the key properties of 5-bromo-N-ethyl-2-(propoxymethyl)pyrimidin-4-amine?
5-bromo-N-ethyl-2-(propoxymethyl)pyrimidin-4-amine has a molecular weight of 274.16 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-ethyl-2-(propoxymethyl)pyrimidin-4-amine is sourced from PubChem (CID 66301436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).