N-(4-iodo-2-methylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine

C18H23IN6O2 — CID 1131976

IUPACN-(4-iodo-2-methylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
SMILESCc1cc(I)ccc1Nc1nc(N2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C18H23IN6O2/c1-13-12-14(19)2-3-15(13)20-16-21-17(24-4-8-26-9-5-24)23-18(22-16)25-6-10-27-11-7-25/h2-3,12H,4-11H2,1H3,(H,20,21,22,23)
InChIKeyIOOVSBMBVKWSOG-UHFFFAOYSA-N
MW482.33 g/mol
LogP2.20
Rot. Bonds4

About N-(4-iodo-2-methylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine

N-(4-iodo-2-methylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine (PubChem CID 1131976) has the molecular formula C18H23IN6O2 and a molecular weight of 482.33 g/mol. Its IUPAC name is N-(4-iodo-2-methylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(4-iodo-2-methylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
PubChem CID1131976
Molecular FormulaC18H23IN6O2
Molecular Weight482.33 g/mol
Exact Mass482.09
IUPAC NameN-(4-iodo-2-methylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
SMILESCc1cc(I)ccc1Nc1nc(N2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C18H23IN6O2/c1-13-12-14(19)2-3-15(13)20-16-21-17(24-4-8-26-9-5-24)23-18(22-16)25-6-10-27-11-7-25/h2-3,12H,4-11H2,1H3,(H,20,21,22,23)
InChIKeyIOOVSBMBVKWSOG-UHFFFAOYSA-N
XLogP2.20
TPSA75.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.33
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-N,4-N-bis(2,4-dimethylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 16955713
N-(5-chloro-2-methylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride
CID 45136694
4-chloro-N-(2-methylphenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 748919
N-(2-chloro-5-methylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride
CID 20994610
N-(2-methoxy-5-methylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
CID 7589328
4-chloro-N-(2,5-dimethylphenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 3732346
N-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2-methylquinolin-8-amine
CID 118467402
N-(2-chlorophenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
CID 7589315
2-N-(2,5-dimethylphenyl)-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine
CID 39847761
N-(2-methoxy-4-morpholin-4-ylphenyl)-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine
CID 58865823
2-N-(3-chloro-4-methylphenyl)-4-N-(4-chlorophenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 18580181
2-[(Z)-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-4-iodo-6-methylphenol
CID 137127262

Frequently Asked Questions

What is the IUPAC name of N-(4-iodo-2-methylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine?
The IUPAC name of N-(4-iodo-2-methylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine (CID 1131976) is N-(4-iodo-2-methylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(4-iodo-2-methylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine?
The canonical SMILES for N-(4-iodo-2-methylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine is Cc1cc(I)ccc1Nc1nc(N2CCOCC2)nc(N2CCOCC2)n1.
What is the InChIKey of N-(4-iodo-2-methylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine?
The InChIKey is IOOVSBMBVKWSOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23IN6O2/c1-13-12-14(19)2-3-15(13)20-16-21-17(24-4-8-26-9-5-24)23-18(22-16)25-6-10-27-11-7-25/h2-3,12H,4-11H2,1H3,(H,20,21,22,23).
What are the key properties of N-(4-iodo-2-methylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine?
N-(4-iodo-2-methylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine has a molecular weight of 482.33 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodo-2-methylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 1131976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).