5-bromo-N-(3-ethoxypropyl)pyrimidin-4-amine

C9H14BrN3O — CID 66343219

IUPAC5-bromo-N-(3-ethoxypropyl)pyrimidin-4-amine
SMILESCCOCCCNc1ncncc1Br
InChIInChI=1S/C9H14BrN3O/c1-2-14-5-3-4-12-9-8(10)6-11-7-13-9/h6-7H,2-5H2,1H3,(H,11,12,13)
InChIKeyPCRHBWQBCTUZIE-UHFFFAOYSA-N
MW260.13 g/mol
LogP2.08
Rot. Bonds6

About 5-bromo-N-(3-ethoxypropyl)pyrimidin-4-amine

5-bromo-N-(3-ethoxypropyl)pyrimidin-4-amine (PubChem CID 66343219) has the molecular formula C9H14BrN3O and a molecular weight of 260.13 g/mol. Its IUPAC name is 5-bromo-N-(3-ethoxypropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-(3-ethoxypropyl)pyrimidin-4-amine
PubChem CID66343219
Molecular FormulaC9H14BrN3O
Molecular Weight260.13 g/mol
Exact Mass259.03
IUPAC Name5-bromo-N-(3-ethoxypropyl)pyrimidin-4-amine
SMILESCCOCCCNc1ncncc1Br
InChIInChI=1S/C9H14BrN3O/c1-2-14-5-3-4-12-9-8(10)6-11-7-13-9/h6-7H,2-5H2,1H3,(H,11,12,13)
InChIKeyPCRHBWQBCTUZIE-UHFFFAOYSA-N
XLogP2.08
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.13
LogP ≤ 52.08
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-(2-ethoxyethyl)pyrimidin-4-amine
CID 66340987
5-bromo-N-[3-(2-methylpropoxy)propyl]pyrimidin-4-amine
CID 103766959
5-bromo-N-[3-(2-chloroethoxy)propyl]pyrimidin-4-amine
CID 106306461
5-bromo-4-N-(3-ethoxypropyl)-6-N-ethylpyrimidine-4,6-diamine
CID 114071942
N-(5-bromopyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine
CID 66342316
5-bromo-4-N-(3-ethoxypropyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80773193
N-(5-bromopyrimidin-4-yl)-N',N'-dimethylbutane-1,4-diamine
CID 66342800
N-(3-ethoxypropyl)-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 80943910
5-bromo-N-(5,5,5-trifluoropentyl)pyrimidin-4-amine
CID 115486607
4-N-(3-ethoxypropyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80771977
5-bromo-N-(3-ethoxypropyl)-3-fluoropyridin-2-amine
CID 104923688
5-[(5-bromopyrimidin-4-yl)amino]pentanamide
CID 103915031

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-ethoxypropyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-N-(3-ethoxypropyl)pyrimidin-4-amine (CID 66343219) is 5-bromo-N-(3-ethoxypropyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-(3-ethoxypropyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-(3-ethoxypropyl)pyrimidin-4-amine is CCOCCCNc1ncncc1Br.
What is the InChIKey of 5-bromo-N-(3-ethoxypropyl)pyrimidin-4-amine?
The InChIKey is PCRHBWQBCTUZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrN3O/c1-2-14-5-3-4-12-9-8(10)6-11-7-13-9/h6-7H,2-5H2,1H3,(H,11,12,13).
What are the key properties of 5-bromo-N-(3-ethoxypropyl)pyrimidin-4-amine?
5-bromo-N-(3-ethoxypropyl)pyrimidin-4-amine has a molecular weight of 260.13 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-ethoxypropyl)pyrimidin-4-amine is sourced from PubChem (CID 66343219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).