N-(4-fluorophenyl)-4,6-dimethoxy-1,3,5-triazin-2-amine

C11H11FN4O2 — CID 2796483

IUPACN-(4-fluorophenyl)-4,6-dimethoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(Nc2ccc(F)cc2)nc(OC)n1
InChIInChI=1S/C11H11FN4O2/c1-17-10-14-9(15-11(16-10)18-2)13-8-5-3-7(12)4-6-8/h3-6H,1-2H3,(H,13,14,15,16)
InChIKeyKABZWNBPHYMYKB-UHFFFAOYSA-N
MW250.23 g/mol
LogP1.77
Rot. Bonds4

About N-(4-fluorophenyl)-4,6-dimethoxy-1,3,5-triazin-2-amine

N-(4-fluorophenyl)-4,6-dimethoxy-1,3,5-triazin-2-amine (PubChem CID 2796483) has the molecular formula C11H11FN4O2 and a molecular weight of 250.23 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4,6-dimethoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4,6-dimethoxy-1,3,5-triazin-2-amine
PubChem CID2796483
Molecular FormulaC11H11FN4O2
Molecular Weight250.23 g/mol
Exact Mass250.09
IUPAC NameN-(4-fluorophenyl)-4,6-dimethoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(Nc2ccc(F)cc2)nc(OC)n1
InChIInChI=1S/C11H11FN4O2/c1-17-10-14-9(15-11(16-10)18-2)13-8-5-3-7(12)4-6-8/h3-6H,1-2H3,(H,13,14,15,16)
InChIKeyKABZWNBPHYMYKB-UHFFFAOYSA-N
XLogP1.77
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.23
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-(4-fluorophenyl)-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80760934
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
N-(3-chloro-4-fluorophenyl)-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 62861592
N-[4-[chloro(difluoro)methoxy]phenyl]-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 619065
4-chloro-N-(4-chlorophenyl)-6-methoxy-1,3,5-triazin-2-amine
CID 14362435
2-N-(4-fluorophenyl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80760502
2-N-(3,5-difluorophenyl)-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80762233
4-N-ethyl-6-methoxy-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 80768361
4-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]phenol
CID 59860984
2-N-(4-fluorophenyl)-6-methoxy-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 71031737
N-(4-fluoro-3-methoxyphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine
CID 114841199
6-methoxy-2-N-(4-propan-2-ylphenyl)-1,3,5-triazine-2,4-diamine
CID 80768034

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4,6-dimethoxy-1,3,5-triazin-2-amine?
The IUPAC name of N-(4-fluorophenyl)-4,6-dimethoxy-1,3,5-triazin-2-amine (CID 2796483) is N-(4-fluorophenyl)-4,6-dimethoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(4-fluorophenyl)-4,6-dimethoxy-1,3,5-triazin-2-amine?
The canonical SMILES for N-(4-fluorophenyl)-4,6-dimethoxy-1,3,5-triazin-2-amine is COc1nc(Nc2ccc(F)cc2)nc(OC)n1.
What is the InChIKey of N-(4-fluorophenyl)-4,6-dimethoxy-1,3,5-triazin-2-amine?
The InChIKey is KABZWNBPHYMYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4O2/c1-17-10-14-9(15-11(16-10)18-2)13-8-5-3-7(12)4-6-8/h3-6H,1-2H3,(H,13,14,15,16).
What are the key properties of N-(4-fluorophenyl)-4,6-dimethoxy-1,3,5-triazin-2-amine?
N-(4-fluorophenyl)-4,6-dimethoxy-1,3,5-triazin-2-amine has a molecular weight of 250.23 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4,6-dimethoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 2796483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).