N-[4-[chloro(difluoro)methoxy]phenyl]-4,6-dimethoxy-1,3,5-triazin-2-amine

C12H11ClF2N4O3 — CID 619065

IUPACN-[4-[chloro(difluoro)methoxy]phenyl]-4,6-dimethoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(Nc2ccc(OC(F)(F)Cl)cc2)nc(OC)n1
InChIInChI=1S/C12H11ClF2N4O3/c1-20-10-17-9(18-11(19-10)21-2)16-7-3-5-8(6-4-7)22-12(13,14)15/h3-6H,1-2H3,(H,16,17,18,19)
InChIKeyJZNVDROFJJACAK-UHFFFAOYSA-N
MW332.69 g/mol
LogP2.80
Rot. Bonds6

About N-[4-[chloro(difluoro)methoxy]phenyl]-4,6-dimethoxy-1,3,5-triazin-2-amine

N-[4-[chloro(difluoro)methoxy]phenyl]-4,6-dimethoxy-1,3,5-triazin-2-amine (PubChem CID 619065) has the molecular formula C12H11ClF2N4O3 and a molecular weight of 332.69 g/mol. Its IUPAC name is N-[4-[chloro(difluoro)methoxy]phenyl]-4,6-dimethoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-[4-[chloro(difluoro)methoxy]phenyl]-4,6-dimethoxy-1,3,5-triazin-2-amine
PubChem CID619065
Molecular FormulaC12H11ClF2N4O3
Molecular Weight332.69 g/mol
Exact Mass332.05
IUPAC NameN-[4-[chloro(difluoro)methoxy]phenyl]-4,6-dimethoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(Nc2ccc(OC(F)(F)Cl)cc2)nc(OC)n1
InChIInChI=1S/C12H11ClF2N4O3/c1-20-10-17-9(18-11(19-10)21-2)16-7-3-5-8(6-4-7)22-12(13,14)15/h3-6H,1-2H3,(H,16,17,18,19)
InChIKeyJZNVDROFJJACAK-UHFFFAOYSA-N
XLogP2.80
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.69
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[chloro(difluoro)methoxy]phenyl]-4-[4-(3-chlorophenyl)piperazin-1-yl]-6-methoxy-1,3,5-triazin-2-amine
CID 5091828
2-N-tert-butyl-4-N-[4-[chloro(difluoro)methoxy]phenyl]-6-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 1279309
N-(4-fluorophenyl)-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 2796483
N-(4-methoxyphenyl)-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
CID 126478513
4-methoxy-6-piperidin-1-yl-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine
CID 558859
N-[4-[2-[4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]phenyl]ethenyl]phenyl]-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 70617138
4-methoxy-6-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine
CID 1273820
4-chloro-N-(4-chlorophenyl)-6-methoxy-1,3,5-triazin-2-amine
CID 14362435
N-(3-chloro-4-fluorophenyl)-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 62861592
6-methoxy-4-N-methyl-2-N-(4-propoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 80799796
6-chloro-2-N,4-N-bis(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 23191
4-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]phenol
CID 59860984

Frequently Asked Questions

What is the IUPAC name of N-[4-[chloro(difluoro)methoxy]phenyl]-4,6-dimethoxy-1,3,5-triazin-2-amine?
The IUPAC name of N-[4-[chloro(difluoro)methoxy]phenyl]-4,6-dimethoxy-1,3,5-triazin-2-amine (CID 619065) is N-[4-[chloro(difluoro)methoxy]phenyl]-4,6-dimethoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for N-[4-[chloro(difluoro)methoxy]phenyl]-4,6-dimethoxy-1,3,5-triazin-2-amine?
The canonical SMILES for N-[4-[chloro(difluoro)methoxy]phenyl]-4,6-dimethoxy-1,3,5-triazin-2-amine is COc1nc(Nc2ccc(OC(F)(F)Cl)cc2)nc(OC)n1.
What is the InChIKey of N-[4-[chloro(difluoro)methoxy]phenyl]-4,6-dimethoxy-1,3,5-triazin-2-amine?
The InChIKey is JZNVDROFJJACAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClF2N4O3/c1-20-10-17-9(18-11(19-10)21-2)16-7-3-5-8(6-4-7)22-12(13,14)15/h3-6H,1-2H3,(H,16,17,18,19).
What are the key properties of N-[4-[chloro(difluoro)methoxy]phenyl]-4,6-dimethoxy-1,3,5-triazin-2-amine?
N-[4-[chloro(difluoro)methoxy]phenyl]-4,6-dimethoxy-1,3,5-triazin-2-amine has a molecular weight of 332.69 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[chloro(difluoro)methoxy]phenyl]-4,6-dimethoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 619065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).