2-(3-chloro-2-pyridinyl)-5-iodo-6-phenylpyrimidin-4-amine

C15H10ClIN4 — CID 103445120

IUPAC2-(3-chloro-2-pyridinyl)-5-iodo-6-phenylpyrimidin-4-amine
SMILESNc1nc(-c2ncccc2Cl)nc(-c2ccccc2)c1I
InChIInChI=1S/C15H10ClIN4/c16-10-7-4-8-19-13(10)15-20-12(11(17)14(18)21-15)9-5-2-1-3-6-9/h1-8H,(H2,18,20,21)
InChIKeyXQRBEMBWHKCGEP-UHFFFAOYSA-N
MW408.63 g/mol
LogP4.05
Rot. Bonds2

About 2-(3-chloro-2-pyridinyl)-5-iodo-6-phenylpyrimidin-4-amine

2-(3-chloro-2-pyridinyl)-5-iodo-6-phenylpyrimidin-4-amine (PubChem CID 103445120) has the molecular formula C15H10ClIN4 and a molecular weight of 408.63 g/mol. Its IUPAC name is 2-(3-chloro-2-pyridinyl)-5-iodo-6-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(3-chloro-2-pyridinyl)-5-iodo-6-phenylpyrimidin-4-amine
PubChem CID103445120
Molecular FormulaC15H10ClIN4
Molecular Weight408.63 g/mol
Exact Mass407.96
IUPAC Name2-(3-chloro-2-pyridinyl)-5-iodo-6-phenylpyrimidin-4-amine
SMILESNc1nc(-c2ncccc2Cl)nc(-c2ccccc2)c1I
InChIInChI=1S/C15H10ClIN4/c16-10-7-4-8-19-13(10)15-20-12(11(17)14(18)21-15)9-5-2-1-3-6-9/h1-8H,(H2,18,20,21)
InChIKeyXQRBEMBWHKCGEP-UHFFFAOYSA-N
XLogP4.05
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.63
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-pyridinyl)-5-iodo-6-phenylpyrimidin-4-amine?
The IUPAC name of 2-(3-chloro-2-pyridinyl)-5-iodo-6-phenylpyrimidin-4-amine (CID 103445120) is 2-(3-chloro-2-pyridinyl)-5-iodo-6-phenylpyrimidin-4-amine.
What is the SMILES notation for 2-(3-chloro-2-pyridinyl)-5-iodo-6-phenylpyrimidin-4-amine?
The canonical SMILES for 2-(3-chloro-2-pyridinyl)-5-iodo-6-phenylpyrimidin-4-amine is Nc1nc(-c2ncccc2Cl)nc(-c2ccccc2)c1I.
What is the InChIKey of 2-(3-chloro-2-pyridinyl)-5-iodo-6-phenylpyrimidin-4-amine?
The InChIKey is XQRBEMBWHKCGEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClIN4/c16-10-7-4-8-19-13(10)15-20-12(11(17)14(18)21-15)9-5-2-1-3-6-9/h1-8H,(H2,18,20,21).
What are the key properties of 2-(3-chloro-2-pyridinyl)-5-iodo-6-phenylpyrimidin-4-amine?
2-(3-chloro-2-pyridinyl)-5-iodo-6-phenylpyrimidin-4-amine has a molecular weight of 408.63 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-pyridinyl)-5-iodo-6-phenylpyrimidin-4-amine is sourced from PubChem (CID 103445120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).