4-chloro-6-[4-(2-iodophenoxy)piperidin-1-yl]pyrimidin-2-amine

C15H16ClIN4O — CID 133337356

IUPAC4-chloro-6-[4-(2-iodophenoxy)piperidin-1-yl]pyrimidin-2-amine
SMILESNc1nc(Cl)cc(N2CCC(Oc3ccccc3I)CC2)n1
InChIInChI=1S/C15H16ClIN4O/c16-13-9-14(20-15(18)19-13)21-7-5-10(6-8-21)22-12-4-2-1-3-11(12)17/h1-4,9-10H,5-8H2,(H2,18,19,20)
InChIKeyYTLPCLNEBRIHBB-UHFFFAOYSA-N
MW430.68 g/mol
LogP3.36
Rot. Bonds3

About 4-chloro-6-[4-(2-iodophenoxy)piperidin-1-yl]pyrimidin-2-amine

4-chloro-6-[4-(2-iodophenoxy)piperidin-1-yl]pyrimidin-2-amine (PubChem CID 133337356) has the molecular formula C15H16ClIN4O and a molecular weight of 430.68 g/mol. Its IUPAC name is 4-chloro-6-[4-(2-iodophenoxy)piperidin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-6-[4-(2-iodophenoxy)piperidin-1-yl]pyrimidin-2-amine
PubChem CID133337356
Molecular FormulaC15H16ClIN4O
Molecular Weight430.68 g/mol
Exact Mass430.01
IUPAC Name4-chloro-6-[4-(2-iodophenoxy)piperidin-1-yl]pyrimidin-2-amine
SMILESNc1nc(Cl)cc(N2CCC(Oc3ccccc3I)CC2)n1
InChIInChI=1S/C15H16ClIN4O/c16-13-9-14(20-15(18)19-13)21-7-5-10(6-8-21)22-12-4-2-1-3-11(12)17/h1-4,9-10H,5-8H2,(H2,18,19,20)
InChIKeyYTLPCLNEBRIHBB-UHFFFAOYSA-N
XLogP3.36
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.68
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[4-(2-iodophenoxy)piperidin-1-yl]pyrimidin-2-amine?
The IUPAC name of 4-chloro-6-[4-(2-iodophenoxy)piperidin-1-yl]pyrimidin-2-amine (CID 133337356) is 4-chloro-6-[4-(2-iodophenoxy)piperidin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-6-[4-(2-iodophenoxy)piperidin-1-yl]pyrimidin-2-amine?
The canonical SMILES for 4-chloro-6-[4-(2-iodophenoxy)piperidin-1-yl]pyrimidin-2-amine is Nc1nc(Cl)cc(N2CCC(Oc3ccccc3I)CC2)n1.
What is the InChIKey of 4-chloro-6-[4-(2-iodophenoxy)piperidin-1-yl]pyrimidin-2-amine?
The InChIKey is YTLPCLNEBRIHBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClIN4O/c16-13-9-14(20-15(18)19-13)21-7-5-10(6-8-21)22-12-4-2-1-3-11(12)17/h1-4,9-10H,5-8H2,(H2,18,19,20).
What are the key properties of 4-chloro-6-[4-(2-iodophenoxy)piperidin-1-yl]pyrimidin-2-amine?
4-chloro-6-[4-(2-iodophenoxy)piperidin-1-yl]pyrimidin-2-amine has a molecular weight of 430.68 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[4-(2-iodophenoxy)piperidin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 133337356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).