6-bromo-2-N-(2-ethoxypropyl)pyrimidine-2,4-diamine

C9H15BrN4O — CID 116797393

IUPAC6-bromo-2-N-(2-ethoxypropyl)pyrimidine-2,4-diamine
SMILESCCOC(C)CNc1nc(N)cc(Br)n1
InChIInChI=1S/C9H15BrN4O/c1-3-15-6(2)5-12-9-13-7(10)4-8(11)14-9/h4,6H,3,5H2,1-2H3,(H3,11,12,13,14)
InChIKeyQHRNLSMSGYXQFW-UHFFFAOYSA-N
MW275.15 g/mol
LogP1.66
Rot. Bonds5

About 6-bromo-2-N-(2-ethoxypropyl)pyrimidine-2,4-diamine

6-bromo-2-N-(2-ethoxypropyl)pyrimidine-2,4-diamine (PubChem CID 116797393) has the molecular formula C9H15BrN4O and a molecular weight of 275.15 g/mol. Its IUPAC name is 6-bromo-2-N-(2-ethoxypropyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-bromo-2-N-(2-ethoxypropyl)pyrimidine-2,4-diamine
PubChem CID116797393
Molecular FormulaC9H15BrN4O
Molecular Weight275.15 g/mol
Exact Mass274.04
IUPAC Name6-bromo-2-N-(2-ethoxypropyl)pyrimidine-2,4-diamine
SMILESCCOC(C)CNc1nc(N)cc(Br)n1
InChIInChI=1S/C9H15BrN4O/c1-3-15-6(2)5-12-9-13-7(10)4-8(11)14-9/h4,6H,3,5H2,1-2H3,(H3,11,12,13,14)
InChIKeyQHRNLSMSGYXQFW-UHFFFAOYSA-N
XLogP1.66
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.15
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-amino-6-bromopyrimidin-2-yl)amino]propan-2-ol
CID 116795491
6-bromo-2-N-(2-phenylpropyl)pyrimidine-2,4-diamine
CID 116797337
6-bromo-2-N-(2-ethylhexyl)pyrimidine-2,4-diamine
CID 114004473
4-[(4-amino-6-bromopyrimidin-2-yl)amino]butan-2-ol
CID 116796030
6-bromo-2-N-but-2-ynylpyrimidine-2,4-diamine
CID 116797359
6-bromo-2-N-(3-butoxypropyl)pyrimidine-2,4-diamine
CID 116797411
5-bromo-N-(2-ethoxypropyl)-4-methoxypyrimidin-2-amine
CID 103746057
6-bromo-2-N-methylpyrimidine-2,4-diamine
CID 116795396
N-(2-ethoxypropyl)-5-methylpyrimidin-2-amine
CID 115774164
6-chloro-4-N-(2-ethoxypropyl)pyrimidine-2,4-diamine
CID 115658236
6-bromo-2-N-[(2-methylcyclopropyl)methyl]pyrimidine-2,4-diamine
CID 116797357
4-N-(2-ethoxypropyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine
CID 113478373

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-N-(2-ethoxypropyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-bromo-2-N-(2-ethoxypropyl)pyrimidine-2,4-diamine (CID 116797393) is 6-bromo-2-N-(2-ethoxypropyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-bromo-2-N-(2-ethoxypropyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-bromo-2-N-(2-ethoxypropyl)pyrimidine-2,4-diamine is CCOC(C)CNc1nc(N)cc(Br)n1.
What is the InChIKey of 6-bromo-2-N-(2-ethoxypropyl)pyrimidine-2,4-diamine?
The InChIKey is QHRNLSMSGYXQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BrN4O/c1-3-15-6(2)5-12-9-13-7(10)4-8(11)14-9/h4,6H,3,5H2,1-2H3,(H3,11,12,13,14).
What are the key properties of 6-bromo-2-N-(2-ethoxypropyl)pyrimidine-2,4-diamine?
6-bromo-2-N-(2-ethoxypropyl)pyrimidine-2,4-diamine has a molecular weight of 275.15 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-N-(2-ethoxypropyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 116797393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).