N'-cyclopentyl-N'-(5-iodopyrimidin-2-yl)propane-1,3-diamine

C12H19IN4 — CID 116648233

IUPACN'-cyclopentyl-N'-(5-iodopyrimidin-2-yl)propane-1,3-diamine
SMILESNCCCN(c1ncc(I)cn1)C1CCCC1
InChIInChI=1S/C12H19IN4/c13-10-8-15-12(16-9-10)17(7-3-6-14)11-4-1-2-5-11/h8-9,11H,1-7,14H2
InChIKeyMCNGEFUCQQDZCN-UHFFFAOYSA-N
MW346.22 g/mol
LogP2.18
Rot. Bonds5

About N'-cyclopentyl-N'-(5-iodopyrimidin-2-yl)propane-1,3-diamine

N'-cyclopentyl-N'-(5-iodopyrimidin-2-yl)propane-1,3-diamine (PubChem CID 116648233) has the molecular formula C12H19IN4 and a molecular weight of 346.22 g/mol. Its IUPAC name is N'-cyclopentyl-N'-(5-iodopyrimidin-2-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-cyclopentyl-N'-(5-iodopyrimidin-2-yl)propane-1,3-diamine
PubChem CID116648233
Molecular FormulaC12H19IN4
Molecular Weight346.22 g/mol
Exact Mass346.07
IUPAC NameN'-cyclopentyl-N'-(5-iodopyrimidin-2-yl)propane-1,3-diamine
SMILESNCCCN(c1ncc(I)cn1)C1CCCC1
InChIInChI=1S/C12H19IN4/c13-10-8-15-12(16-9-10)17(7-3-6-14)11-4-1-2-5-11/h8-9,11H,1-7,14H2
InChIKeyMCNGEFUCQQDZCN-UHFFFAOYSA-N
XLogP2.18
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.22
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-cyclopentyl-N'-(5-iodopyrimidin-2-yl)propane-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-cyclohexyl-N'-quinazolin-2-ylpropane-1,3-diamine
CID 114788671
N'-(5-bromo-4-methoxypyrimidin-2-yl)-N'-cyclopentylpropane-1,3-diamine
CID 106997331
N'-(5-bromo-4-methoxypyrimidin-2-yl)-N'-cycloheptylpropane-1,3-diamine
CID 106997333
N'-cyclopentyl-N'-(3,5-difluoro-2-pyridinyl)propane-1,3-diamine
CID 112675387
N'-(5-bromopyrimidin-4-yl)-N'-cyclopentylpropane-1,3-diamine
CID 66341181
N'-(5-bromopyrimidin-2-yl)-N'-cyclopropylethane-1,2-diamine
CID 63874009
N'-cyclohexyl-N'-pyridin-4-ylpropane-1,3-diamine
CID 43137168
N'-cyclohexyl-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine
CID 65270703
N-(3-chloropropyl)-N-cyclobutylpyrimidin-2-amine
CID 102871366
N'-(5-bromo-3-methyl-2-pyridinyl)-N'-cyclohexylpropane-1,3-diamine
CID 79712452
N'-(5-bromo-3-methyl-2-pyridinyl)-N'-cycloheptylpropane-1,3-diamine
CID 79712548
2-[(5-aminopyrimidin-2-yl)-cyclobutylamino]ethanol
CID 102859565

Frequently Asked Questions

What is the IUPAC name of N'-cyclopentyl-N'-(5-iodopyrimidin-2-yl)propane-1,3-diamine?
The IUPAC name of N'-cyclopentyl-N'-(5-iodopyrimidin-2-yl)propane-1,3-diamine (CID 116648233) is N'-cyclopentyl-N'-(5-iodopyrimidin-2-yl)propane-1,3-diamine.
What is the SMILES notation for N'-cyclopentyl-N'-(5-iodopyrimidin-2-yl)propane-1,3-diamine?
The canonical SMILES for N'-cyclopentyl-N'-(5-iodopyrimidin-2-yl)propane-1,3-diamine is NCCCN(c1ncc(I)cn1)C1CCCC1.
What is the InChIKey of N'-cyclopentyl-N'-(5-iodopyrimidin-2-yl)propane-1,3-diamine?
The InChIKey is MCNGEFUCQQDZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19IN4/c13-10-8-15-12(16-9-10)17(7-3-6-14)11-4-1-2-5-11/h8-9,11H,1-7,14H2.
What are the key properties of N'-cyclopentyl-N'-(5-iodopyrimidin-2-yl)propane-1,3-diamine?
N'-cyclopentyl-N'-(5-iodopyrimidin-2-yl)propane-1,3-diamine has a molecular weight of 346.22 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-N'-(5-iodopyrimidin-2-yl)propane-1,3-diamine is sourced from PubChem (CID 116648233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).