2-(3-chloro-2-pyridinyl)-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine

C12H12ClIN4O — CID 103445159

IUPAC2-(3-chloro-2-pyridinyl)-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine
SMILESCNc1nc(-c2ncccc2Cl)nc(COC)c1I
InChIInChI=1S/C12H12ClIN4O/c1-15-11-9(14)8(6-19-2)17-12(18-11)10-7(13)4-3-5-16-10/h3-5H,6H2,1-2H3,(H,15,17,18)
InChIKeyLDAZNMAZGWZJMW-UHFFFAOYSA-N
MW390.61 g/mol
LogP2.98
Rot. Bonds4

About 2-(3-chloro-2-pyridinyl)-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine

2-(3-chloro-2-pyridinyl)-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine (PubChem CID 103445159) has the molecular formula C12H12ClIN4O and a molecular weight of 390.61 g/mol. Its IUPAC name is 2-(3-chloro-2-pyridinyl)-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(3-chloro-2-pyridinyl)-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine
PubChem CID103445159
Molecular FormulaC12H12ClIN4O
Molecular Weight390.61 g/mol
Exact Mass389.97
IUPAC Name2-(3-chloro-2-pyridinyl)-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine
SMILESCNc1nc(-c2ncccc2Cl)nc(COC)c1I
InChIInChI=1S/C12H12ClIN4O/c1-15-11-9(14)8(6-19-2)17-12(18-11)10-7(13)4-3-5-16-10/h3-5H,6H2,1-2H3,(H,15,17,18)
InChIKeyLDAZNMAZGWZJMW-UHFFFAOYSA-N
XLogP2.98
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.61
LogP ≤ 52.98
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 2-(3-chloro-2-pyridinyl)-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine?
The IUPAC name of 2-(3-chloro-2-pyridinyl)-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine (CID 103445159) is 2-(3-chloro-2-pyridinyl)-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 2-(3-chloro-2-pyridinyl)-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine?
The canonical SMILES for 2-(3-chloro-2-pyridinyl)-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine is CNc1nc(-c2ncccc2Cl)nc(COC)c1I.
What is the InChIKey of 2-(3-chloro-2-pyridinyl)-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine?
The InChIKey is LDAZNMAZGWZJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClIN4O/c1-15-11-9(14)8(6-19-2)17-12(18-11)10-7(13)4-3-5-16-10/h3-5H,6H2,1-2H3,(H,15,17,18).
What are the key properties of 2-(3-chloro-2-pyridinyl)-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine?
2-(3-chloro-2-pyridinyl)-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine has a molecular weight of 390.61 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-pyridinyl)-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 103445159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).