N'-(5-bromopyrimidin-4-yl)-N'-(2-methoxyethyl)propane-1,3-diamine

C10H17BrN4O — CID 66341638

IUPACN'-(5-bromopyrimidin-4-yl)-N'-(2-methoxyethyl)propane-1,3-diamine
SMILESCOCCN(CCCN)c1ncncc1Br
InChIInChI=1S/C10H17BrN4O/c1-16-6-5-15(4-2-3-12)10-9(11)7-13-8-14-10/h7-8H,2-6,12H2,1H3
InChIKeyAWDYUBGONRDZAF-UHFFFAOYSA-N
MW289.18 g/mol
LogP1.04
Rot. Bonds7

About N'-(5-bromopyrimidin-4-yl)-N'-(2-methoxyethyl)propane-1,3-diamine

N'-(5-bromopyrimidin-4-yl)-N'-(2-methoxyethyl)propane-1,3-diamine (PubChem CID 66341638) has the molecular formula C10H17BrN4O and a molecular weight of 289.18 g/mol. Its IUPAC name is N'-(5-bromopyrimidin-4-yl)-N'-(2-methoxyethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(5-bromopyrimidin-4-yl)-N'-(2-methoxyethyl)propane-1,3-diamine
PubChem CID66341638
Molecular FormulaC10H17BrN4O
Molecular Weight289.18 g/mol
Exact Mass288.06
IUPAC NameN'-(5-bromopyrimidin-4-yl)-N'-(2-methoxyethyl)propane-1,3-diamine
SMILESCOCCN(CCCN)c1ncncc1Br
InChIInChI=1S/C10H17BrN4O/c1-16-6-5-15(4-2-3-12)10-9(11)7-13-8-14-10/h7-8H,2-6,12H2,1H3
InChIKeyAWDYUBGONRDZAF-UHFFFAOYSA-N
XLogP1.04
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.18
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N'-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-N'-(2-methoxyethyl)propane-1,3-diamine
CID 106795791
N'-(5-bromopyrimidin-4-yl)-N'-(2-methoxyphenyl)propane-1,3-diamine
CID 66340512
N'-(2-methoxyethyl)-N'-pyrazin-2-ylpropane-1,3-diamine
CID 63287295
N'-(2-methoxyethyl)-N'-pyrimidin-2-ylpropane-1,3-diamine
CID 63287337
N'-(2-methoxyethyl)-N'-(5-methylpyrimidin-2-yl)propane-1,3-diamine
CID 63287741
5-bromo-N-cyclopropyl-N-(2-methoxyethyl)pyrimidin-4-amine
CID 66319709
N'-(5-bromopyrimidin-4-yl)-N'-cyclopropylpropane-1,3-diamine
CID 66340953
N,N-bis(2-methoxyethyl)-5-(methylaminomethyl)pyrimidin-4-amine
CID 114216195
[4-[bis(2-methoxyethyl)amino]pyrimidin-5-yl]methanol
CID 114215034
5-bromo-2-N-ethyl-4-N-(2-methoxyethyl)-4-N-(3-methoxypropyl)pyrimidine-2,4-diamine
CID 80806443
N'-(5-bromopyrimidin-4-yl)-N'-cyclopentylpropane-1,3-diamine
CID 66341181
N-ethyl-5-fluoro-N-(2-methoxyethyl)pyrimidin-4-amine
CID 143431201

Frequently Asked Questions

What is the IUPAC name of N'-(5-bromopyrimidin-4-yl)-N'-(2-methoxyethyl)propane-1,3-diamine?
The IUPAC name of N'-(5-bromopyrimidin-4-yl)-N'-(2-methoxyethyl)propane-1,3-diamine (CID 66341638) is N'-(5-bromopyrimidin-4-yl)-N'-(2-methoxyethyl)propane-1,3-diamine.
What is the SMILES notation for N'-(5-bromopyrimidin-4-yl)-N'-(2-methoxyethyl)propane-1,3-diamine?
The canonical SMILES for N'-(5-bromopyrimidin-4-yl)-N'-(2-methoxyethyl)propane-1,3-diamine is COCCN(CCCN)c1ncncc1Br.
What is the InChIKey of N'-(5-bromopyrimidin-4-yl)-N'-(2-methoxyethyl)propane-1,3-diamine?
The InChIKey is AWDYUBGONRDZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrN4O/c1-16-6-5-15(4-2-3-12)10-9(11)7-13-8-14-10/h7-8H,2-6,12H2,1H3.
What are the key properties of N'-(5-bromopyrimidin-4-yl)-N'-(2-methoxyethyl)propane-1,3-diamine?
N'-(5-bromopyrimidin-4-yl)-N'-(2-methoxyethyl)propane-1,3-diamine has a molecular weight of 289.18 g/mol, XLogP of 1.04, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-bromopyrimidin-4-yl)-N'-(2-methoxyethyl)propane-1,3-diamine is sourced from PubChem (CID 66341638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).