5-iodo-2-(6-methoxy-2-pyridinyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine

C14H17IN4O — CID 103348431

IUPAC5-iodo-2-(6-methoxy-2-pyridinyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine
SMILESCNc1nc(-c2cccc(OC)n2)nc(C(C)C)c1I
InChIInChI=1S/C14H17IN4O/c1-8(2)12-11(15)14(16-3)19-13(18-12)9-6-5-7-10(17-9)20-4/h5-8H,1-4H3,(H,16,18,19)
InChIKeyDJYGWTROOBRRHT-UHFFFAOYSA-N
MW384.22 g/mol
LogP3.32
Rot. Bonds4

About 5-iodo-2-(6-methoxy-2-pyridinyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine

5-iodo-2-(6-methoxy-2-pyridinyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine (PubChem CID 103348431) has the molecular formula C14H17IN4O and a molecular weight of 384.22 g/mol. Its IUPAC name is 5-iodo-2-(6-methoxy-2-pyridinyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-iodo-2-(6-methoxy-2-pyridinyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine
PubChem CID103348431
Molecular FormulaC14H17IN4O
Molecular Weight384.22 g/mol
Exact Mass384.04
IUPAC Name5-iodo-2-(6-methoxy-2-pyridinyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine
SMILESCNc1nc(-c2cccc(OC)n2)nc(C(C)C)c1I
InChIInChI=1S/C14H17IN4O/c1-8(2)12-11(15)14(16-3)19-13(18-12)9-6-5-7-10(17-9)20-4/h5-8H,1-4H3,(H,16,18,19)
InChIKeyDJYGWTROOBRRHT-UHFFFAOYSA-N
XLogP3.32
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.22
LogP ≤ 53.32
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 5-iodo-2-(6-methoxy-2-pyridinyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 5-iodo-2-(6-methoxy-2-pyridinyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine (CID 103348431) is 5-iodo-2-(6-methoxy-2-pyridinyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 5-iodo-2-(6-methoxy-2-pyridinyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 5-iodo-2-(6-methoxy-2-pyridinyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine is CNc1nc(-c2cccc(OC)n2)nc(C(C)C)c1I.
What is the InChIKey of 5-iodo-2-(6-methoxy-2-pyridinyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine?
The InChIKey is DJYGWTROOBRRHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17IN4O/c1-8(2)12-11(15)14(16-3)19-13(18-12)9-6-5-7-10(17-9)20-4/h5-8H,1-4H3,(H,16,18,19).
What are the key properties of 5-iodo-2-(6-methoxy-2-pyridinyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine?
5-iodo-2-(6-methoxy-2-pyridinyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine has a molecular weight of 384.22 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-(6-methoxy-2-pyridinyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 103348431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).