2,4-diamino-6-(5-hydroxy-2-iodophenyl)pyrimidine-5-carbonitrile

C11H8IN5O — CID 169397267

IUPAC2,4-diamino-6-(5-hydroxy-2-iodophenyl)pyrimidine-5-carbonitrile
SMILESN#Cc1c(N)nc(N)nc1-c1cc(O)ccc1I
InChIInChI=1S/C11H8IN5O/c12-8-2-1-5(18)3-6(8)9-7(4-13)10(14)17-11(15)16-9/h1-3,18H,(H4,14,15,16,17)
InChIKeyQACAJEQMWZKPGR-UHFFFAOYSA-N
MW353.12 g/mol
LogP1.49
Rot. Bonds1

About 2,4-diamino-6-(5-hydroxy-2-iodophenyl)pyrimidine-5-carbonitrile

2,4-diamino-6-(5-hydroxy-2-iodophenyl)pyrimidine-5-carbonitrile (PubChem CID 169397267) has the molecular formula C11H8IN5O and a molecular weight of 353.12 g/mol. Its IUPAC name is 2,4-diamino-6-(5-hydroxy-2-iodophenyl)pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2,4-diamino-6-(5-hydroxy-2-iodophenyl)pyrimidine-5-carbonitrile
PubChem CID169397267
Molecular FormulaC11H8IN5O
Molecular Weight353.12 g/mol
Exact Mass352.98
IUPAC Name2,4-diamino-6-(5-hydroxy-2-iodophenyl)pyrimidine-5-carbonitrile
SMILESN#Cc1c(N)nc(N)nc1-c1cc(O)ccc1I
InChIInChI=1S/C11H8IN5O/c12-8-2-1-5(18)3-6(8)9-7(4-13)10(14)17-11(15)16-9/h1-3,18H,(H4,14,15,16,17)
InChIKeyQACAJEQMWZKPGR-UHFFFAOYSA-N
XLogP1.49
TPSA121.84 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.12
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2,4-diamino-6-(2,4-dihydroxyphenyl)pyrimidine-5-carbonitrile
CID 169395987
2,4-diamino-6-(2-hydroxy-4-methoxyphenyl)pyrimidine-5-carbonitrile
CID 169395991
2,4-diamino-6-(2,3,4-trihydroxyphenyl)pyrimidine-5-carbonitrile
CID 169396057
2-(2,6-diamino-5-cyanopyrimidin-4-yl)-5-iodobenzoic acid
CID 169396965
[3-(2,6-diamino-5-cyanopyrimidin-4-yl)-4-hydroxyphenyl]boronic acid
CID 169398910
2,4-diamino-6-(3-fluoro-4-iodo-2-methoxyphenyl)pyrimidine-5-carbonitrile
CID 169398825
2,4-diamino-6-(2-hydroxy-4-methyl-5-nitrophenyl)pyrimidine-5-carbonitrile
CID 169396938
2,4-diamino-6-(2-chlorophenyl)pyrimidine-5-carbonitrile
CID 169398559
2,4-diamino-6-(4-iodo-3-nitrophenyl)pyrimidine-5-carbonitrile
CID 169398783
2,4-diamino-6-(2,3-difluoro-6-hydroxyphenyl)pyrimidine-5-carbonitrile
CID 169398963
2,4-diamino-6-(3-bromo-4-hydroxyphenyl)pyrimidine-5-carbonitrile
CID 169396130
2,4-diamino-6-(2-chloro-4-fluorophenyl)pyrimidine-5-carbonitrile
CID 169396041

Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-6-(5-hydroxy-2-iodophenyl)pyrimidine-5-carbonitrile?
The IUPAC name of 2,4-diamino-6-(5-hydroxy-2-iodophenyl)pyrimidine-5-carbonitrile (CID 169397267) is 2,4-diamino-6-(5-hydroxy-2-iodophenyl)pyrimidine-5-carbonitrile.
What is the SMILES notation for 2,4-diamino-6-(5-hydroxy-2-iodophenyl)pyrimidine-5-carbonitrile?
The canonical SMILES for 2,4-diamino-6-(5-hydroxy-2-iodophenyl)pyrimidine-5-carbonitrile is N#Cc1c(N)nc(N)nc1-c1cc(O)ccc1I.
What is the InChIKey of 2,4-diamino-6-(5-hydroxy-2-iodophenyl)pyrimidine-5-carbonitrile?
The InChIKey is QACAJEQMWZKPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8IN5O/c12-8-2-1-5(18)3-6(8)9-7(4-13)10(14)17-11(15)16-9/h1-3,18H,(H4,14,15,16,17).
What are the key properties of 2,4-diamino-6-(5-hydroxy-2-iodophenyl)pyrimidine-5-carbonitrile?
2,4-diamino-6-(5-hydroxy-2-iodophenyl)pyrimidine-5-carbonitrile has a molecular weight of 353.12 g/mol, XLogP of 1.49, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-6-(5-hydroxy-2-iodophenyl)pyrimidine-5-carbonitrile is sourced from PubChem (CID 169397267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).