5-iodo-N-(1-propylpiperidin-4-yl)pyrimidin-2-amine

C12H19IN4 — CID 113459447

IUPAC5-iodo-N-(1-propylpiperidin-4-yl)pyrimidin-2-amine
SMILESCCCN1CCC(Nc2ncc(I)cn2)CC1
InChIInChI=1S/C12H19IN4/c1-2-5-17-6-3-11(4-7-17)16-12-14-8-10(13)9-15-12/h8-9,11H,2-7H2,1H3,(H,14,15,16)
InChIKeyJDXNWGXMYTYRPM-UHFFFAOYSA-N
MW346.22 g/mol
LogP2.37
Rot. Bonds4

About 5-iodo-N-(1-propylpiperidin-4-yl)pyrimidin-2-amine

5-iodo-N-(1-propylpiperidin-4-yl)pyrimidin-2-amine (PubChem CID 113459447) has the molecular formula C12H19IN4 and a molecular weight of 346.22 g/mol. Its IUPAC name is 5-iodo-N-(1-propylpiperidin-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-iodo-N-(1-propylpiperidin-4-yl)pyrimidin-2-amine
PubChem CID113459447
Molecular FormulaC12H19IN4
Molecular Weight346.22 g/mol
Exact Mass346.07
IUPAC Name5-iodo-N-(1-propylpiperidin-4-yl)pyrimidin-2-amine
SMILESCCCN1CCC(Nc2ncc(I)cn2)CC1
InChIInChI=1S/C12H19IN4/c1-2-5-17-6-3-11(4-7-17)16-12-14-8-10(13)9-15-12/h8-9,11H,2-7H2,1H3,(H,14,15,16)
InChIKeyJDXNWGXMYTYRPM-UHFFFAOYSA-N
XLogP2.37
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.22
LogP ≤ 52.37
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

2-[4-[(5-iodopyrimidin-2-yl)amino]piperidin-1-yl]acetonitrile
CID 104843729
5-propyl-N-(1-propylpyrrolidin-3-yl)pyrimidin-2-amine
CID 131936847
N-(1-ethylpiperidin-4-yl)-5-methylpyrimidin-2-amine
CID 63208182
4-methoxy-N-(1-propylpiperidin-4-yl)pyrimidin-2-amine
CID 112683417
5-N-(1-propylpiperidin-4-yl)pyridine-2,5-diamine
CID 54963421
5-ethyl-N-[(3R)-1-propylpiperidin-3-yl]pyrimidin-2-amine
CID 97186978
N-(1-ethylpiperidin-4-yl)pyrimidin-2-amine
CID 60667166
N-(4-iodo-2-methylphenyl)-1-propylazepan-4-amine
CID 65074070
4-ethoxy-6-hydrazinyl-N-(1-propylpiperidin-4-yl)-1,3,5-triazin-2-amine
CID 80901771
2-N-ethyl-4-N-(1-propylpiperidin-4-yl)pyrimidine-2,4-diamine
CID 80807066
6-ethoxy-N-(1-propylpiperidin-4-yl)pyrimidin-4-amine
CID 66330964
N-[(4-iodophenyl)methyl]-1-propylpiperidin-4-amine
CID 65479012

Frequently Asked Questions

What is the IUPAC name of 5-iodo-N-(1-propylpiperidin-4-yl)pyrimidin-2-amine?
The IUPAC name of 5-iodo-N-(1-propylpiperidin-4-yl)pyrimidin-2-amine (CID 113459447) is 5-iodo-N-(1-propylpiperidin-4-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-iodo-N-(1-propylpiperidin-4-yl)pyrimidin-2-amine?
The canonical SMILES for 5-iodo-N-(1-propylpiperidin-4-yl)pyrimidin-2-amine is CCCN1CCC(Nc2ncc(I)cn2)CC1.
What is the InChIKey of 5-iodo-N-(1-propylpiperidin-4-yl)pyrimidin-2-amine?
The InChIKey is JDXNWGXMYTYRPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19IN4/c1-2-5-17-6-3-11(4-7-17)16-12-14-8-10(13)9-15-12/h8-9,11H,2-7H2,1H3,(H,14,15,16).
What are the key properties of 5-iodo-N-(1-propylpiperidin-4-yl)pyrimidin-2-amine?
5-iodo-N-(1-propylpiperidin-4-yl)pyrimidin-2-amine has a molecular weight of 346.22 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N-(1-propylpiperidin-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 113459447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).