2-N-(4-fluorophenyl)-6-methoxy-1,3,5-triazine-2,4-diamine

C10H10FN5O — CID 80760934

IUPAC2-N-(4-fluorophenyl)-6-methoxy-1,3,5-triazine-2,4-diamine
SMILESCOc1nc(N)nc(Nc2ccc(F)cc2)n1
InChIInChI=1S/C10H10FN5O/c1-17-10-15-8(12)14-9(16-10)13-7-4-2-6(11)3-5-7/h2-5H,1H3,(H3,12,13,14,15,16)
InChIKeyUGTBNWZNWKWHDS-UHFFFAOYSA-N
MW235.22 g/mol
LogP1.35
Rot. Bonds3

About 2-N-(4-fluorophenyl)-6-methoxy-1,3,5-triazine-2,4-diamine

2-N-(4-fluorophenyl)-6-methoxy-1,3,5-triazine-2,4-diamine (PubChem CID 80760934) has the molecular formula C10H10FN5O and a molecular weight of 235.22 g/mol. Its IUPAC name is 2-N-(4-fluorophenyl)-6-methoxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-fluorophenyl)-6-methoxy-1,3,5-triazine-2,4-diamine
PubChem CID80760934
Molecular FormulaC10H10FN5O
Molecular Weight235.22 g/mol
Exact Mass235.09
IUPAC Name2-N-(4-fluorophenyl)-6-methoxy-1,3,5-triazine-2,4-diamine
SMILESCOc1nc(N)nc(Nc2ccc(F)cc2)n1
InChIInChI=1S/C10H10FN5O/c1-17-10-15-8(12)14-9(16-10)13-7-4-2-6(11)3-5-7/h2-5H,1H3,(H3,12,13,14,15,16)
InChIKeyUGTBNWZNWKWHDS-UHFFFAOYSA-N
XLogP1.35
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.22
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-fluorophenyl)-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 2796483
6-methoxy-2-N-(4-propan-2-ylphenyl)-1,3,5-triazine-2,4-diamine
CID 80768034
6-methoxy-2-N-(4-propylphenyl)-1,3,5-triazine-2,4-diamine
CID 80779154
5-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]-2-fluorobenzonitrile
CID 80826966
6-ethyl-2-N-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine
CID 142393995
2-N-(5-chloro-2-fluorophenyl)-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80780587
6-methoxy-2-N-(3-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 80754961
6-methoxy-2-N-(2,4,5-trifluorophenyl)-1,3,5-triazine-2,4-diamine
CID 80825019
2-N-(4-fluoro-3-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine
CID 91334398
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
2-N-[2-(difluoromethoxy)phenyl]-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80753951

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-fluorophenyl)-6-methoxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(4-fluorophenyl)-6-methoxy-1,3,5-triazine-2,4-diamine (CID 80760934) is 2-N-(4-fluorophenyl)-6-methoxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(4-fluorophenyl)-6-methoxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(4-fluorophenyl)-6-methoxy-1,3,5-triazine-2,4-diamine is COc1nc(N)nc(Nc2ccc(F)cc2)n1.
What is the InChIKey of 2-N-(4-fluorophenyl)-6-methoxy-1,3,5-triazine-2,4-diamine?
The InChIKey is UGTBNWZNWKWHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN5O/c1-17-10-15-8(12)14-9(16-10)13-7-4-2-6(11)3-5-7/h2-5H,1H3,(H3,12,13,14,15,16).
What are the key properties of 2-N-(4-fluorophenyl)-6-methoxy-1,3,5-triazine-2,4-diamine?
2-N-(4-fluorophenyl)-6-methoxy-1,3,5-triazine-2,4-diamine has a molecular weight of 235.22 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-fluorophenyl)-6-methoxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80760934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).