N'-cyclobutyl-N'-(5-iodopyrimidin-4-yl)ethane-1,2-diamine

C10H15IN4 — CID 102874836

IUPACN'-cyclobutyl-N'-(5-iodopyrimidin-4-yl)ethane-1,2-diamine
SMILESNCCN(c1ncncc1I)C1CCC1
InChIInChI=1S/C10H15IN4/c11-9-6-13-7-14-10(9)15(5-4-12)8-2-1-3-8/h6-8H,1-5,12H2
InChIKeyVTXFMLXVHTVWPF-UHFFFAOYSA-N
MW318.16 g/mol
LogP1.40
Rot. Bonds4

About N'-cyclobutyl-N'-(5-iodopyrimidin-4-yl)ethane-1,2-diamine

N'-cyclobutyl-N'-(5-iodopyrimidin-4-yl)ethane-1,2-diamine (PubChem CID 102874836) has the molecular formula C10H15IN4 and a molecular weight of 318.16 g/mol. Its IUPAC name is N'-cyclobutyl-N'-(5-iodopyrimidin-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclobutyl-N'-(5-iodopyrimidin-4-yl)ethane-1,2-diamine
PubChem CID102874836
Molecular FormulaC10H15IN4
Molecular Weight318.16 g/mol
Exact Mass318.03
IUPAC NameN'-cyclobutyl-N'-(5-iodopyrimidin-4-yl)ethane-1,2-diamine
SMILESNCCN(c1ncncc1I)C1CCC1
InChIInChI=1S/C10H15IN4/c11-9-6-13-7-14-10(9)15(5-4-12)8-2-1-3-8/h6-8H,1-5,12H2
InChIKeyVTXFMLXVHTVWPF-UHFFFAOYSA-N
XLogP1.40
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.16
LogP ≤ 51.40
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-(3-bromopropyl)-N-cyclobutyl-5-iodopyrimidin-4-amine
CID 102871338
N-(2-bromoethyl)-N-cyclohexyl-5-iodopyrimidin-4-amine
CID 80675574
2-[cyclopentyl-(5-iodopyrimidin-4-yl)amino]acetamide
CID 66318147
N-cyclopropyl-5-iodo-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 66320184
N'-(5-bromopyrimidin-4-yl)-N'-cyclopentylpropane-1,3-diamine
CID 66341181
N,N-dicyclohexyl-5-iodopyrimidin-4-amine
CID 66342186
N'-(5-bromopyrimidin-4-yl)-N'-cyclopropylpropane-1,3-diamine
CID 66340953
N'-cyclobutyl-N'-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)ethane-1,2-diamine
CID 102874680
N-cyclopropyl-5-iodo-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 66318811
N'-butyl-N'-(5-iodopyrimidin-4-yl)ethane-1,2-diamine
CID 66319328
N'-cyclopentyl-N'-(3,6-dimethylpyrazin-2-yl)ethane-1,2-diamine
CID 55218668
3-[cyclobutyl-[5-(hydroxymethyl)pyrimidin-4-yl]amino]propan-1-ol
CID 114215177

Frequently Asked Questions

What is the IUPAC name of N'-cyclobutyl-N'-(5-iodopyrimidin-4-yl)ethane-1,2-diamine?
The IUPAC name of N'-cyclobutyl-N'-(5-iodopyrimidin-4-yl)ethane-1,2-diamine (CID 102874836) is N'-cyclobutyl-N'-(5-iodopyrimidin-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-cyclobutyl-N'-(5-iodopyrimidin-4-yl)ethane-1,2-diamine?
The canonical SMILES for N'-cyclobutyl-N'-(5-iodopyrimidin-4-yl)ethane-1,2-diamine is NCCN(c1ncncc1I)C1CCC1.
What is the InChIKey of N'-cyclobutyl-N'-(5-iodopyrimidin-4-yl)ethane-1,2-diamine?
The InChIKey is VTXFMLXVHTVWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15IN4/c11-9-6-13-7-14-10(9)15(5-4-12)8-2-1-3-8/h6-8H,1-5,12H2.
What are the key properties of N'-cyclobutyl-N'-(5-iodopyrimidin-4-yl)ethane-1,2-diamine?
N'-cyclobutyl-N'-(5-iodopyrimidin-4-yl)ethane-1,2-diamine has a molecular weight of 318.16 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclobutyl-N'-(5-iodopyrimidin-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 102874836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).