2-amino-5-[(2-aminopyrimidin-4-yl)amino]benzenecarboximidoyl iodide

C11H11IN6 — CID 143557243

IUPAC2-amino-5-[(2-aminopyrimidin-4-yl)amino]benzenecarboximidoyl iodide
SMILES[H]/N=C(\I)c1cc(Nc2ccnc(N)n2)ccc1N
InChIInChI=1S/C11H11IN6/c12-10(14)7-5-6(1-2-8(7)13)17-9-3-4-16-11(15)18-9/h1-5,14H,13H2,(H3,15,16,17,18)/b14-10-
InChIKeySXSXZVXOTVFWGW-UVTDQMKNSA-N
MW354.16 g/mol
LogP2.14
Rot. Bonds3

About 2-amino-5-[(2-aminopyrimidin-4-yl)amino]benzenecarboximidoyl iodide

2-amino-5-[(2-aminopyrimidin-4-yl)amino]benzenecarboximidoyl iodide (PubChem CID 143557243) has the molecular formula C11H11IN6 and a molecular weight of 354.16 g/mol. Its IUPAC name is 2-amino-5-[(2-aminopyrimidin-4-yl)amino]benzenecarboximidoyl iodide.

Molecular Properties

Compound Name2-amino-5-[(2-aminopyrimidin-4-yl)amino]benzenecarboximidoyl iodide
PubChem CID143557243
Molecular FormulaC11H11IN6
Molecular Weight354.16 g/mol
Exact Mass354.01
IUPAC Name2-amino-5-[(2-aminopyrimidin-4-yl)amino]benzenecarboximidoyl iodide
SMILES[H]/N=C(\I)c1cc(Nc2ccnc(N)n2)ccc1N
InChIInChI=1S/C11H11IN6/c12-10(14)7-5-6(1-2-8(7)13)17-9-3-4-16-11(15)18-9/h1-5,14H,13H2,(H3,15,16,17,18)/b14-10-
InChIKeySXSXZVXOTVFWGW-UVTDQMKNSA-N
XLogP2.14
TPSA113.70 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.16
LogP ≤ 52.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-N-(4-amino-3-ethanimidoylphenyl)pyrimidine-2,4-diamine;ethane;ethane-1,1-diol
CID 143557339
4-N-[4-amino-3-(3-methylbenzenecarboximidoyl)phenyl]pyrimidine-2,4-diamine
CID 143557530
4-N-(4-amino-3-methylphenyl)pyrimidine-2,4-diamine
CID 143557696
4-N-(4-bromo-3-fluorophenyl)pyrimidine-2,4-diamine
CID 80843375
4-N-[4-amino-3-[5-[(Z)-1-methylsulfanylbut-1-enyl]thiophene-2-carboximidoyl]phenyl]pyrimidine-2,4-diamine
CID 143557648
2-[2-amino-5-[(2-aminopyrimidin-4-yl)amino]phenyl]-2-imino-N-(4-methoxy-1,2-dihydronaphthalen-2-yl)acetamide
CID 143557307
4-N-(3-chloro-4-fluorophenyl)pyrimidine-2,4-diamine
CID 80755292
5-[(2-aminopyrimidin-4-yl)amino]isoindole-1,3-dione
CID 80760234
2-[3-[(2-aminopyrimidin-4-yl)amino]anilino]ethanol
CID 91537514
4-N-[4-(2-aminoethyl)phenyl]pyrimidine-2,4-diamine
CID 58393152
4-N-(3-chloro-2H-indazol-5-yl)pyrimidine-2,4-diamine
CID 59024384
4-N-[4-(pyridin-4-ylmethyl)phenyl]pyrimidine-2,4-diamine
CID 174921115

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[(2-aminopyrimidin-4-yl)amino]benzenecarboximidoyl iodide?
The IUPAC name of 2-amino-5-[(2-aminopyrimidin-4-yl)amino]benzenecarboximidoyl iodide (CID 143557243) is 2-amino-5-[(2-aminopyrimidin-4-yl)amino]benzenecarboximidoyl iodide.
What is the SMILES notation for 2-amino-5-[(2-aminopyrimidin-4-yl)amino]benzenecarboximidoyl iodide?
The canonical SMILES for 2-amino-5-[(2-aminopyrimidin-4-yl)amino]benzenecarboximidoyl iodide is [H]/N=C(\I)c1cc(Nc2ccnc(N)n2)ccc1N.
What is the InChIKey of 2-amino-5-[(2-aminopyrimidin-4-yl)amino]benzenecarboximidoyl iodide?
The InChIKey is SXSXZVXOTVFWGW-UVTDQMKNSA-N. The full InChI is InChI=1S/C11H11IN6/c12-10(14)7-5-6(1-2-8(7)13)17-9-3-4-16-11(15)18-9/h1-5,14H,13H2,(H3,15,16,17,18)/b14-10-.
What are the key properties of 2-amino-5-[(2-aminopyrimidin-4-yl)amino]benzenecarboximidoyl iodide?
2-amino-5-[(2-aminopyrimidin-4-yl)amino]benzenecarboximidoyl iodide has a molecular weight of 354.16 g/mol, XLogP of 2.14, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[(2-aminopyrimidin-4-yl)amino]benzenecarboximidoyl iodide is sourced from PubChem (CID 143557243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).