5-iodo-6-propan-2-yl-2-pyridin-2-ylpyrimidin-4-amine

C12H13IN4 — CID 66300718

IUPAC5-iodo-6-propan-2-yl-2-pyridin-2-ylpyrimidin-4-amine
SMILESCC(C)c1nc(-c2ccccn2)nc(N)c1I
InChIInChI=1S/C12H13IN4/c1-7(2)10-9(13)11(14)17-12(16-10)8-5-3-4-6-15-8/h3-7H,1-2H3,(H2,14,16,17)
InChIKeyZLTARVLYXJLSIT-UHFFFAOYSA-N
MW340.17 g/mol
LogP2.85
Rot. Bonds2

About 5-iodo-6-propan-2-yl-2-pyridin-2-ylpyrimidin-4-amine

5-iodo-6-propan-2-yl-2-pyridin-2-ylpyrimidin-4-amine (PubChem CID 66300718) has the molecular formula C12H13IN4 and a molecular weight of 340.17 g/mol. Its IUPAC name is 5-iodo-6-propan-2-yl-2-pyridin-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-iodo-6-propan-2-yl-2-pyridin-2-ylpyrimidin-4-amine
PubChem CID66300718
Molecular FormulaC12H13IN4
Molecular Weight340.17 g/mol
Exact Mass340.02
IUPAC Name5-iodo-6-propan-2-yl-2-pyridin-2-ylpyrimidin-4-amine
SMILESCC(C)c1nc(-c2ccccn2)nc(N)c1I
InChIInChI=1S/C12H13IN4/c1-7(2)10-9(13)11(14)17-12(16-10)8-5-3-4-6-15-8/h3-7H,1-2H3,(H2,14,16,17)
InChIKeyZLTARVLYXJLSIT-UHFFFAOYSA-N
XLogP2.85
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.17
LogP ≤ 52.85
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 5-iodo-6-propan-2-yl-2-pyridin-2-ylpyrimidin-4-amine?
The IUPAC name of 5-iodo-6-propan-2-yl-2-pyridin-2-ylpyrimidin-4-amine (CID 66300718) is 5-iodo-6-propan-2-yl-2-pyridin-2-ylpyrimidin-4-amine.
What is the SMILES notation for 5-iodo-6-propan-2-yl-2-pyridin-2-ylpyrimidin-4-amine?
The canonical SMILES for 5-iodo-6-propan-2-yl-2-pyridin-2-ylpyrimidin-4-amine is CC(C)c1nc(-c2ccccn2)nc(N)c1I.
What is the InChIKey of 5-iodo-6-propan-2-yl-2-pyridin-2-ylpyrimidin-4-amine?
The InChIKey is ZLTARVLYXJLSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13IN4/c1-7(2)10-9(13)11(14)17-12(16-10)8-5-3-4-6-15-8/h3-7H,1-2H3,(H2,14,16,17).
What are the key properties of 5-iodo-6-propan-2-yl-2-pyridin-2-ylpyrimidin-4-amine?
5-iodo-6-propan-2-yl-2-pyridin-2-ylpyrimidin-4-amine has a molecular weight of 340.17 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-6-propan-2-yl-2-pyridin-2-ylpyrimidin-4-amine is sourced from PubChem (CID 66300718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).