N'-(5-iodopyrimidin-4-yl)-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine

C10H17IN4O — CID 66320006

IUPACN'-(5-iodopyrimidin-4-yl)-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine
SMILESCOCCNCCN(C)c1ncncc1I
InChIInChI=1S/C10H17IN4O/c1-15(5-3-12-4-6-16-2)10-9(11)7-13-8-14-10/h7-8,12H,3-6H2,1-2H3
InChIKeyFHXBSCCAIXVIGB-UHFFFAOYSA-N
MW336.18 g/mol
LogP0.75
Rot. Bonds7

About N'-(5-iodopyrimidin-4-yl)-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine

N'-(5-iodopyrimidin-4-yl)-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine (PubChem CID 66320006) has the molecular formula C10H17IN4O and a molecular weight of 336.18 g/mol. Its IUPAC name is N'-(5-iodopyrimidin-4-yl)-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(5-iodopyrimidin-4-yl)-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine
PubChem CID66320006
Molecular FormulaC10H17IN4O
Molecular Weight336.18 g/mol
Exact Mass336.04
IUPAC NameN'-(5-iodopyrimidin-4-yl)-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine
SMILESCOCCNCCN(C)c1ncncc1I
InChIInChI=1S/C10H17IN4O/c1-15(5-3-12-4-6-16-2)10-9(11)7-13-8-14-10/h7-8,12H,3-6H2,1-2H3
InChIKeyFHXBSCCAIXVIGB-UHFFFAOYSA-N
XLogP0.75
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.18
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethoxyethyl)-5-iodo-N-methylpyrimidin-4-amine
CID 81061842
N'-(5-bromopyrimidin-2-yl)-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 63872311
5-iodo-N-(1-methoxypropan-2-yl)-N-methylpyrimidin-4-amine
CID 66319257
5-iodo-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine
CID 66319979
N'-(3-chloro-4-pyridinyl)-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 79841429
N-(2-methoxyethyl)-N'-methyl-N'-pyridin-2-ylethane-1,2-diamine
CID 62588167
N-[[1-(dimethylamino)cyclobutyl]methyl]-5-iodo-N-methylpyrimidin-4-amine
CID 105420240
N-(2-methoxyethyl)-N'-methyl-N'-thieno[3,2-c]pyridin-4-ylethane-1,2-diamine
CID 62586554
N-(5-iodopyrimidin-4-yl)-N,N',2-trimethylpropane-1,3-diamine
CID 106918118
N-(2-methoxyethyl)-N'-methyl-N'-(4-methylpyrimidin-2-yl)ethane-1,2-diamine
CID 62959481
N-(2-methoxyethyl)-N'-methyl-N'-(4-methylphenyl)ethane-1,2-diamine
CID 62574597
N-(2-methoxyethyl)-N'-methyl-N'-(2-methylpyrimidin-4-yl)ethane-1,2-diamine
CID 62769885

Frequently Asked Questions

What is the IUPAC name of N'-(5-iodopyrimidin-4-yl)-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
The IUPAC name of N'-(5-iodopyrimidin-4-yl)-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine (CID 66320006) is N'-(5-iodopyrimidin-4-yl)-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-(5-iodopyrimidin-4-yl)-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-(5-iodopyrimidin-4-yl)-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine is COCCNCCN(C)c1ncncc1I.
What is the InChIKey of N'-(5-iodopyrimidin-4-yl)-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
The InChIKey is FHXBSCCAIXVIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17IN4O/c1-15(5-3-12-4-6-16-2)10-9(11)7-13-8-14-10/h7-8,12H,3-6H2,1-2H3.
What are the key properties of N'-(5-iodopyrimidin-4-yl)-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
N'-(5-iodopyrimidin-4-yl)-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine has a molecular weight of 336.18 g/mol, XLogP of 0.75, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-iodopyrimidin-4-yl)-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 66320006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).