N-(4-iodo-3-pyridinyl)pyrimidin-2-amine

C9H7IN4 — CID 170346593

IUPACN-(4-iodo-3-pyridinyl)pyrimidin-2-amine
SMILESIc1ccncc1Nc1ncccn1
InChIInChI=1S/C9H7IN4/c10-7-2-5-11-6-8(7)14-9-12-3-1-4-13-9/h1-6H,(H,12,13,14)
InChIKeyPGDLUTCBOZEHGD-UHFFFAOYSA-N
MW298.09 g/mol
LogP2.22
Rot. Bonds2

About N-(4-iodo-3-pyridinyl)pyrimidin-2-amine

N-(4-iodo-3-pyridinyl)pyrimidin-2-amine (PubChem CID 170346593) has the molecular formula C9H7IN4 and a molecular weight of 298.09 g/mol. Its IUPAC name is N-(4-iodo-3-pyridinyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(4-iodo-3-pyridinyl)pyrimidin-2-amine
PubChem CID170346593
Molecular FormulaC9H7IN4
Molecular Weight298.09 g/mol
Exact Mass297.97
IUPAC NameN-(4-iodo-3-pyridinyl)pyrimidin-2-amine
SMILESIc1ccncc1Nc1ncccn1
InChIInChI=1S/C9H7IN4/c10-7-2-5-11-6-8(7)14-9-12-3-1-4-13-9/h1-6H,(H,12,13,14)
InChIKeyPGDLUTCBOZEHGD-UHFFFAOYSA-N
XLogP2.22
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.09
LogP ≤ 52.22
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 N-(4-iodo-3-pyridinyl)pyrimidin-2-amine?
The IUPAC name of N-(4-iodo-3-pyridinyl)pyrimidin-2-amine (CID 170346593) is N-(4-iodo-3-pyridinyl)pyrimidin-2-amine.
What is the SMILES notation for N-(4-iodo-3-pyridinyl)pyrimidin-2-amine?
The canonical SMILES for N-(4-iodo-3-pyridinyl)pyrimidin-2-amine is Ic1ccncc1Nc1ncccn1.
What is the InChIKey of N-(4-iodo-3-pyridinyl)pyrimidin-2-amine?
The InChIKey is PGDLUTCBOZEHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7IN4/c10-7-2-5-11-6-8(7)14-9-12-3-1-4-13-9/h1-6H,(H,12,13,14).
What are the key properties of N-(4-iodo-3-pyridinyl)pyrimidin-2-amine?
N-(4-iodo-3-pyridinyl)pyrimidin-2-amine has a molecular weight of 298.09 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodo-3-pyridinyl)pyrimidin-2-amine is sourced from PubChem (CID 170346593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).