2-chloro-5-iodo-6-(6-methoxy-3-pyridinyl)pyrimidin-4-amine

C10H8ClIN4O — CID 142788951

IUPAC2-chloro-5-iodo-6-(6-methoxy-3-pyridinyl)pyrimidin-4-amine
SMILESCOc1ccc(-c2nc(Cl)nc(N)c2I)cn1
InChIInChI=1S/C10H8ClIN4O/c1-17-6-3-2-5(4-14-6)8-7(12)9(13)16-10(11)15-8/h2-4H,1H3,(H2,13,15,16)
InChIKeyJFICIOGARTVHDS-UHFFFAOYSA-N
MW362.56 g/mol
LogP2.39
Rot. Bonds2

About 2-chloro-5-iodo-6-(6-methoxy-3-pyridinyl)pyrimidin-4-amine

2-chloro-5-iodo-6-(6-methoxy-3-pyridinyl)pyrimidin-4-amine (PubChem CID 142788951) has the molecular formula C10H8ClIN4O and a molecular weight of 362.56 g/mol. Its IUPAC name is 2-chloro-5-iodo-6-(6-methoxy-3-pyridinyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-5-iodo-6-(6-methoxy-3-pyridinyl)pyrimidin-4-amine
PubChem CID142788951
Molecular FormulaC10H8ClIN4O
Molecular Weight362.56 g/mol
Exact Mass361.94
IUPAC Name2-chloro-5-iodo-6-(6-methoxy-3-pyridinyl)pyrimidin-4-amine
SMILESCOc1ccc(-c2nc(Cl)nc(N)c2I)cn1
InChIInChI=1S/C10H8ClIN4O/c1-17-6-3-2-5(4-14-6)8-7(12)9(13)16-10(11)15-8/h2-4H,1H3,(H2,13,15,16)
InChIKeyJFICIOGARTVHDS-UHFFFAOYSA-N
XLogP2.39
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.56
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

5-bromo-2-chloro-4-(6-methoxy-3-pyridinyl)pyrimidine
CID 134854260
2-chloro-4-(6-methoxy-3-pyridinyl)quinazoline
CID 134202247
2-chloro-6-(6-methoxy-3-pyridinyl)-5-(4-methyl-6-methylsulfanyl-1,3,5-triazin-2-yl)pyrimidin-4-amine
CID 142788927
6-cyclopropyl-5-iodo-2-(6-methoxy-3-pyridinyl)pyrimidin-4-amine
CID 114938417
5-(4-iodophenyl)-2-methoxypyridine
CID 121329970
3,5-dichloro-4-(6-methoxy-3-pyridinyl)aniline
CID 90390971
5-(4-chlorophenyl)-2-methoxypyridine;ethane
CID 143906878
2-tert-butyl-4-(6-methoxy-3-pyridinyl)imidazole-1,5-diamine
CID 114938291
2-tert-butyl-5-(6-methoxy-3-pyridinyl)-3-methylimidazol-4-amine
CID 114938274
N,N-dichloro-4-(6-methoxy-3-pyridinyl)aniline
CID 141410973
5-(6-methoxy-3-pyridinyl)-6-methylpyridin-2-amine
CID 11171929
5-(3-fluoro-4-pyridinyl)-6-(6-methoxy-3-pyridinyl)pyridin-2-amine
CID 122508259

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-iodo-6-(6-methoxy-3-pyridinyl)pyrimidin-4-amine?
The IUPAC name of 2-chloro-5-iodo-6-(6-methoxy-3-pyridinyl)pyrimidin-4-amine (CID 142788951) is 2-chloro-5-iodo-6-(6-methoxy-3-pyridinyl)pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-5-iodo-6-(6-methoxy-3-pyridinyl)pyrimidin-4-amine?
The canonical SMILES for 2-chloro-5-iodo-6-(6-methoxy-3-pyridinyl)pyrimidin-4-amine is COc1ccc(-c2nc(Cl)nc(N)c2I)cn1.
What is the InChIKey of 2-chloro-5-iodo-6-(6-methoxy-3-pyridinyl)pyrimidin-4-amine?
The InChIKey is JFICIOGARTVHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClIN4O/c1-17-6-3-2-5(4-14-6)8-7(12)9(13)16-10(11)15-8/h2-4H,1H3,(H2,13,15,16).
What are the key properties of 2-chloro-5-iodo-6-(6-methoxy-3-pyridinyl)pyrimidin-4-amine?
2-chloro-5-iodo-6-(6-methoxy-3-pyridinyl)pyrimidin-4-amine has a molecular weight of 362.56 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-iodo-6-(6-methoxy-3-pyridinyl)pyrimidin-4-amine is sourced from PubChem (CID 142788951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).