N-(5-iodopyrimidin-4-yl)-N,N',2-trimethylpropane-1,3-diamine

C10H17IN4 — CID 106918118

IUPACN-(5-iodopyrimidin-4-yl)-N,N',2-trimethylpropane-1,3-diamine
SMILESCNCC(C)CN(C)c1ncncc1I
InChIInChI=1S/C10H17IN4/c1-8(4-12-2)6-15(3)10-9(11)5-13-7-14-10/h5,7-8,12H,4,6H2,1-3H3
InChIKeyXTXYVAIBFAYZPW-UHFFFAOYSA-N
MW320.18 g/mol
LogP1.37
Rot. Bonds5

About N-(5-iodopyrimidin-4-yl)-N,N',2-trimethylpropane-1,3-diamine

N-(5-iodopyrimidin-4-yl)-N,N',2-trimethylpropane-1,3-diamine (PubChem CID 106918118) has the molecular formula C10H17IN4 and a molecular weight of 320.18 g/mol. Its IUPAC name is N-(5-iodopyrimidin-4-yl)-N,N',2-trimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(5-iodopyrimidin-4-yl)-N,N',2-trimethylpropane-1,3-diamine
PubChem CID106918118
Molecular FormulaC10H17IN4
Molecular Weight320.18 g/mol
Exact Mass320.05
IUPAC NameN-(5-iodopyrimidin-4-yl)-N,N',2-trimethylpropane-1,3-diamine
SMILESCNCC(C)CN(C)c1ncncc1I
InChIInChI=1S/C10H17IN4/c1-8(4-12-2)6-15(3)10-9(11)5-13-7-14-10/h5,7-8,12H,4,6H2,1-3H3
InChIKeyXTXYVAIBFAYZPW-UHFFFAOYSA-N
XLogP1.37
TPSA41.05 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 ≤ 51.37
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

N,N',2-trimethyl-N'-pyrimidin-4-ylpropane-1,3-diamine
CID 106918163
N,N',2-trimethyl-N'-(3-methylpyrazin-2-yl)propane-1,3-diamine
CID 106918100
N-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N,N',2-trimethylpropane-1,3-diamine
CID 106918086
5-iodo-N-(1-methoxypropan-2-yl)-N-methylpyrimidin-4-amine
CID 66319257
N'-(5-iodopyrimidin-4-yl)-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 66320006
1-methyl-3-[methyl-[2-methyl-3-(methylamino)propyl]amino]pyrazin-2-one
CID 106918192
N-(2-ethoxyethyl)-5-iodo-N-methylpyrimidin-4-amine
CID 81061842
3-[(5-aminopyrimidin-4-yl)-methylamino]-2-methylpropanenitrile
CID 79917514
N-[[1-(dimethylamino)cyclobutyl]methyl]-5-iodo-N-methylpyrimidin-4-amine
CID 105420240
N-[(4-bromophenyl)methyl]-5-iodo-N-methylpyrimidin-4-amine
CID 66340839
3-[[(5-iodopyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol
CID 66320423
N-(furan-2-ylmethyl)-5-iodo-N-methylpyrimidin-4-amine
CID 65418233

Frequently Asked Questions

What is the IUPAC name of N-(5-iodopyrimidin-4-yl)-N,N',2-trimethylpropane-1,3-diamine?
The IUPAC name of N-(5-iodopyrimidin-4-yl)-N,N',2-trimethylpropane-1,3-diamine (CID 106918118) is N-(5-iodopyrimidin-4-yl)-N,N',2-trimethylpropane-1,3-diamine.
What is the SMILES notation for N-(5-iodopyrimidin-4-yl)-N,N',2-trimethylpropane-1,3-diamine?
The canonical SMILES for N-(5-iodopyrimidin-4-yl)-N,N',2-trimethylpropane-1,3-diamine is CNCC(C)CN(C)c1ncncc1I.
What is the InChIKey of N-(5-iodopyrimidin-4-yl)-N,N',2-trimethylpropane-1,3-diamine?
The InChIKey is XTXYVAIBFAYZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17IN4/c1-8(4-12-2)6-15(3)10-9(11)5-13-7-14-10/h5,7-8,12H,4,6H2,1-3H3.
What are the key properties of N-(5-iodopyrimidin-4-yl)-N,N',2-trimethylpropane-1,3-diamine?
N-(5-iodopyrimidin-4-yl)-N,N',2-trimethylpropane-1,3-diamine has a molecular weight of 320.18 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-iodopyrimidin-4-yl)-N,N',2-trimethylpropane-1,3-diamine is sourced from PubChem (CID 106918118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).