5-iodo-N-(piperidin-2-ylmethyl)-N-propylpyrimidin-4-amine

C13H21IN4 — CID 106642309

IUPAC5-iodo-N-(piperidin-2-ylmethyl)-N-propylpyrimidin-4-amine
SMILESCCCN(CC1CCCCN1)c1ncncc1I
InChIInChI=1S/C13H21IN4/c1-2-7-18(9-11-5-3-4-6-16-11)13-12(14)8-15-10-17-13/h8,10-11,16H,2-7,9H2,1H3
InChIKeyMWAQPROVLKAEEO-UHFFFAOYSA-N
MW360.24 g/mol
LogP2.44
Rot. Bonds5

About 5-iodo-N-(piperidin-2-ylmethyl)-N-propylpyrimidin-4-amine

5-iodo-N-(piperidin-2-ylmethyl)-N-propylpyrimidin-4-amine (PubChem CID 106642309) has the molecular formula C13H21IN4 and a molecular weight of 360.24 g/mol. Its IUPAC name is 5-iodo-N-(piperidin-2-ylmethyl)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-iodo-N-(piperidin-2-ylmethyl)-N-propylpyrimidin-4-amine
PubChem CID106642309
Molecular FormulaC13H21IN4
Molecular Weight360.24 g/mol
Exact Mass360.08
IUPAC Name5-iodo-N-(piperidin-2-ylmethyl)-N-propylpyrimidin-4-amine
SMILESCCCN(CC1CCCCN1)c1ncncc1I
InChIInChI=1S/C13H21IN4/c1-2-7-18(9-11-5-3-4-6-16-11)13-12(14)8-15-10-17-13/h8,10-11,16H,2-7,9H2,1H3
InChIKeyMWAQPROVLKAEEO-UHFFFAOYSA-N
XLogP2.44
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.24
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-iodo-N-(piperidin-2-ylmethyl)-N-propylpyrimidin-4-amine 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

5-chloro-N-(piperidin-2-ylmethyl)-N-propylpyrimidin-2-amine
CID 106642347
N-ethyl-5-iodo-N-propylpyrimidin-4-amine
CID 66340600
5-bromo-3-methyl-N-(piperidin-2-ylmethyl)-N-propylpyridin-2-amine
CID 106642340
N-(piperidin-2-ylmethyl)-N-propyl-1,2,4-thiadiazol-5-amine
CID 106642542
5-[piperidin-2-ylmethyl(propyl)amino]pyridine-2-carbonitrile
CID 106642589
6-methoxy-5-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine
CID 106619899
7-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)thieno[3,2-d]pyrimidin-4-amine
CID 106619830
4,6-dimethyl-N-(piperidin-2-ylmethyl)-N-propylpyrimidin-2-amine
CID 106642566
1-methyl-N-(piperidin-2-ylmethyl)-N-propylimidazol-2-amine
CID 106642484
N-(piperidin-2-ylmethyl)-N-propylpyrazolo[1,5-a]pyrazin-4-amine
CID 106642414
5,6-dimethyl-N-propyl-N-(pyrrolidin-2-ylmethyl)pyrazin-2-amine
CID 106619724
N-(piperidin-2-ylmethyl)-N-propylpyrimidine-5-carboxamide
CID 106625552

Frequently Asked Questions

What is the IUPAC name of 5-iodo-N-(piperidin-2-ylmethyl)-N-propylpyrimidin-4-amine?
The IUPAC name of 5-iodo-N-(piperidin-2-ylmethyl)-N-propylpyrimidin-4-amine (CID 106642309) is 5-iodo-N-(piperidin-2-ylmethyl)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 5-iodo-N-(piperidin-2-ylmethyl)-N-propylpyrimidin-4-amine?
The canonical SMILES for 5-iodo-N-(piperidin-2-ylmethyl)-N-propylpyrimidin-4-amine is CCCN(CC1CCCCN1)c1ncncc1I.
What is the InChIKey of 5-iodo-N-(piperidin-2-ylmethyl)-N-propylpyrimidin-4-amine?
The InChIKey is MWAQPROVLKAEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21IN4/c1-2-7-18(9-11-5-3-4-6-16-11)13-12(14)8-15-10-17-13/h8,10-11,16H,2-7,9H2,1H3.
What are the key properties of 5-iodo-N-(piperidin-2-ylmethyl)-N-propylpyrimidin-4-amine?
5-iodo-N-(piperidin-2-ylmethyl)-N-propylpyrimidin-4-amine has a molecular weight of 360.24 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N-(piperidin-2-ylmethyl)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 106642309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).