2-chloro-2-(2-iodophenyl)-1H-pyrimidin-4-amine

C10H9ClIN3 — CID 136628450

IUPAC2-chloro-2-(2-iodophenyl)-1H-pyrimidin-4-amine
SMILESNC1=NC(Cl)(c2ccccc2I)NC=C1
InChIInChI=1S/C10H9ClIN3/c11-10(14-6-5-9(13)15-10)7-3-1-2-4-8(7)12/h1-6,14H,(H2,13,15)
InChIKeyMFJZTHZJCMSEKK-UHFFFAOYSA-N
MW333.56 g/mol
LogP2.11
Rot. Bonds1

About 2-chloro-2-(2-iodophenyl)-1H-pyrimidin-4-amine

2-chloro-2-(2-iodophenyl)-1H-pyrimidin-4-amine (PubChem CID 136628450) has the molecular formula C10H9ClIN3 and a molecular weight of 333.56 g/mol. Its IUPAC name is 2-chloro-2-(2-iodophenyl)-1H-pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-2-(2-iodophenyl)-1H-pyrimidin-4-amine
PubChem CID136628450
Molecular FormulaC10H9ClIN3
Molecular Weight333.56 g/mol
Exact Mass332.95
IUPAC Name2-chloro-2-(2-iodophenyl)-1H-pyrimidin-4-amine
SMILESNC1=NC(Cl)(c2ccccc2I)NC=C1
InChIInChI=1S/C10H9ClIN3/c11-10(14-6-5-9(13)15-10)7-3-1-2-4-8(7)12/h1-6,14H,(H2,13,15)
InChIKeyMFJZTHZJCMSEKK-UHFFFAOYSA-N
XLogP2.11
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.56
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-(2-iodophenyl)-1H-pyrimidin-4-amine?
The IUPAC name of 2-chloro-2-(2-iodophenyl)-1H-pyrimidin-4-amine (CID 136628450) is 2-chloro-2-(2-iodophenyl)-1H-pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-2-(2-iodophenyl)-1H-pyrimidin-4-amine?
The canonical SMILES for 2-chloro-2-(2-iodophenyl)-1H-pyrimidin-4-amine is NC1=NC(Cl)(c2ccccc2I)NC=C1.
What is the InChIKey of 2-chloro-2-(2-iodophenyl)-1H-pyrimidin-4-amine?
The InChIKey is MFJZTHZJCMSEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClIN3/c11-10(14-6-5-9(13)15-10)7-3-1-2-4-8(7)12/h1-6,14H,(H2,13,15).
What are the key properties of 2-chloro-2-(2-iodophenyl)-1H-pyrimidin-4-amine?
2-chloro-2-(2-iodophenyl)-1H-pyrimidin-4-amine has a molecular weight of 333.56 g/mol, XLogP of 2.11, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-(2-iodophenyl)-1H-pyrimidin-4-amine is sourced from PubChem (CID 136628450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).