N'-ethyl-N'-(5-iodopyrimidin-2-yl)-2-methylpropane-1,3-diamine

C10H17IN4 — CID 116648254

IUPACN'-ethyl-N'-(5-iodopyrimidin-2-yl)-2-methylpropane-1,3-diamine
SMILESCCN(CC(C)CN)c1ncc(I)cn1
InChIInChI=1S/C10H17IN4/c1-3-15(7-8(2)4-12)10-13-5-9(11)6-14-10/h5-6,8H,3-4,7,12H2,1-2H3
InChIKeyBQQLQCTYPUGSHW-UHFFFAOYSA-N
MW320.18 g/mol
LogP1.50
Rot. Bonds5

About N'-ethyl-N'-(5-iodopyrimidin-2-yl)-2-methylpropane-1,3-diamine

N'-ethyl-N'-(5-iodopyrimidin-2-yl)-2-methylpropane-1,3-diamine (PubChem CID 116648254) has the molecular formula C10H17IN4 and a molecular weight of 320.18 g/mol. Its IUPAC name is N'-ethyl-N'-(5-iodopyrimidin-2-yl)-2-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-(5-iodopyrimidin-2-yl)-2-methylpropane-1,3-diamine
PubChem CID116648254
Molecular FormulaC10H17IN4
Molecular Weight320.18 g/mol
Exact Mass320.05
IUPAC NameN'-ethyl-N'-(5-iodopyrimidin-2-yl)-2-methylpropane-1,3-diamine
SMILESCCN(CC(C)CN)c1ncc(I)cn1
InChIInChI=1S/C10H17IN4/c1-3-15(7-8(2)4-12)10-13-5-9(11)6-14-10/h5-6,8H,3-4,7,12H2,1-2H3
InChIKeyBQQLQCTYPUGSHW-UHFFFAOYSA-N
XLogP1.50
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.18
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(2-aminopropyl)-N-ethyl-N-(2-methylbutyl)pyrimidin-2-amine
CID 113388556
5-chloro-N-ethyl-N-(2-methylbutyl)pyrimidin-2-amine
CID 133356912
4-[(3-amino-2-methylpropyl)-ethylamino]-5-iodo-1H-pyrimidin-6-one
CID 136972771
N'-(2-aminoethyl)-N'-(5-iodopyrimidin-2-yl)ethane-1,2-diamine
CID 116649452
3-[ethyl-(5-iodopyrimidin-2-yl)amino]propan-1-ol
CID 104843994
N'-(2,2-difluoroethyl)-N'-(5-iodopyrimidin-2-yl)ethane-1,2-diamine
CID 107494092
N-ethyl-2-[ethyl-(5-iodopyrimidin-2-yl)amino]acetamide
CID 104839933
N-(1-bromopropan-2-yl)-5-iodo-N-methylpyrimidin-2-amine
CID 116649589
N'-ethyl-2-methyl-N'-(7H-purin-6-yl)propane-1,3-diamine
CID 54987903
5-bromo-N-ethyl-N-(2-ethylbutyl)pyrimidin-2-amine
CID 63873425
[2-[ethyl(2-methylbutyl)amino]-4-methylpyrimidin-5-yl]methanol
CID 83184985
3-[ethyl-(5-methylpyrimidin-2-yl)amino]-2-methylpropanoic acid
CID 63208615

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-(5-iodopyrimidin-2-yl)-2-methylpropane-1,3-diamine?
The IUPAC name of N'-ethyl-N'-(5-iodopyrimidin-2-yl)-2-methylpropane-1,3-diamine (CID 116648254) is N'-ethyl-N'-(5-iodopyrimidin-2-yl)-2-methylpropane-1,3-diamine.
What is the SMILES notation for N'-ethyl-N'-(5-iodopyrimidin-2-yl)-2-methylpropane-1,3-diamine?
The canonical SMILES for N'-ethyl-N'-(5-iodopyrimidin-2-yl)-2-methylpropane-1,3-diamine is CCN(CC(C)CN)c1ncc(I)cn1.
What is the InChIKey of N'-ethyl-N'-(5-iodopyrimidin-2-yl)-2-methylpropane-1,3-diamine?
The InChIKey is BQQLQCTYPUGSHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17IN4/c1-3-15(7-8(2)4-12)10-13-5-9(11)6-14-10/h5-6,8H,3-4,7,12H2,1-2H3.
What are the key properties of N'-ethyl-N'-(5-iodopyrimidin-2-yl)-2-methylpropane-1,3-diamine?
N'-ethyl-N'-(5-iodopyrimidin-2-yl)-2-methylpropane-1,3-diamine has a molecular weight of 320.18 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-(5-iodopyrimidin-2-yl)-2-methylpropane-1,3-diamine is sourced from PubChem (CID 116648254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).