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

C14H17BrN4O — CID 66340512

IUPACN'-(5-bromopyrimidin-4-yl)-N'-(2-methoxyphenyl)propane-1,3-diamine
SMILESCOc1ccccc1N(CCCN)c1ncncc1Br
InChIInChI=1S/C14H17BrN4O/c1-20-13-6-3-2-5-12(13)19(8-4-7-16)14-11(15)9-17-10-18-14/h2-3,5-6,9-10H,4,7-8,16H2,1H3
InChIKeyHOKRBNYAOIIQTO-UHFFFAOYSA-N
MW337.22 g/mol
LogP2.73
Rot. Bonds6

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

N'-(5-bromopyrimidin-4-yl)-N'-(2-methoxyphenyl)propane-1,3-diamine (PubChem CID 66340512) has the molecular formula C14H17BrN4O and a molecular weight of 337.22 g/mol. Its IUPAC name is N'-(5-bromopyrimidin-4-yl)-N'-(2-methoxyphenyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(5-bromopyrimidin-4-yl)-N'-(2-methoxyphenyl)propane-1,3-diamine
PubChem CID66340512
Molecular FormulaC14H17BrN4O
Molecular Weight337.22 g/mol
Exact Mass336.06
IUPAC NameN'-(5-bromopyrimidin-4-yl)-N'-(2-methoxyphenyl)propane-1,3-diamine
SMILESCOc1ccccc1N(CCCN)c1ncncc1Br
InChIInChI=1S/C14H17BrN4O/c1-20-13-6-3-2-5-12(13)19(8-4-7-16)14-11(15)9-17-10-18-14/h2-3,5-6,9-10H,4,7-8,16H2,1H3
InChIKeyHOKRBNYAOIIQTO-UHFFFAOYSA-N
XLogP2.73
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N'-(5-bromopyrimidin-4-yl)-N'-(2-fluorophenyl)propane-1,3-diamine
CID 66340075
5-bromo-N-(2-methoxyphenyl)-N-methylpyrimidin-4-amine
CID 66317935
N'-(5-bromo-3-methyl-2-pyridinyl)-N'-(2-methoxyphenyl)propane-1,3-diamine
CID 79712264
N'-(2-methoxyphenyl)-N'-pyrimidin-4-ylpropane-1,3-diamine
CID 61251851
N'-(3-bromo-4-methyl-2-pyridinyl)-N'-(2-methoxyphenyl)propane-1,3-diamine
CID 106875229
N'-(5-bromopyrimidin-4-yl)-N'-(2-methoxyethyl)propane-1,3-diamine
CID 66341638
N'-(2-fluorophenyl)-N'-(5-iodopyrimidin-4-yl)propane-1,3-diamine
CID 66340294
N'-(2-methoxyphenyl)-N'-(5-methylpyridazin-3-yl)propane-1,3-diamine
CID 106549238
N'-(3-fluoropropyl)-N'-(2-methoxyphenyl)propane-1,3-diamine
CID 81106907
N'-(3-bromo-5-methyl-2-pyridinyl)-N'-(2-methylphenyl)propane-1,3-diamine
CID 105366469
N'-(3-bromo-5-chloro-2-pyridinyl)-N'-(2-methylphenyl)propane-1,3-diamine
CID 114835412
5-bromo-N-ethyl-N-naphthalen-1-ylpyrimidin-4-amine
CID 66341940

Frequently Asked Questions

What is the IUPAC name of N'-(5-bromopyrimidin-4-yl)-N'-(2-methoxyphenyl)propane-1,3-diamine?
The IUPAC name of N'-(5-bromopyrimidin-4-yl)-N'-(2-methoxyphenyl)propane-1,3-diamine (CID 66340512) is N'-(5-bromopyrimidin-4-yl)-N'-(2-methoxyphenyl)propane-1,3-diamine.
What is the SMILES notation for N'-(5-bromopyrimidin-4-yl)-N'-(2-methoxyphenyl)propane-1,3-diamine?
The canonical SMILES for N'-(5-bromopyrimidin-4-yl)-N'-(2-methoxyphenyl)propane-1,3-diamine is COc1ccccc1N(CCCN)c1ncncc1Br.
What is the InChIKey of N'-(5-bromopyrimidin-4-yl)-N'-(2-methoxyphenyl)propane-1,3-diamine?
The InChIKey is HOKRBNYAOIIQTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4O/c1-20-13-6-3-2-5-12(13)19(8-4-7-16)14-11(15)9-17-10-18-14/h2-3,5-6,9-10H,4,7-8,16H2,1H3.
What are the key properties of N'-(5-bromopyrimidin-4-yl)-N'-(2-methoxyphenyl)propane-1,3-diamine?
N'-(5-bromopyrimidin-4-yl)-N'-(2-methoxyphenyl)propane-1,3-diamine has a molecular weight of 337.22 g/mol, XLogP of 2.73, 6 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-methoxyphenyl)propane-1,3-diamine is sourced from PubChem (CID 66340512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).