2-N-(4-fluorophenyl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine

C13H16FN5O — CID 80760502

IUPAC2-N-(4-fluorophenyl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(Nc2ccc(F)cc2)nc(OC(C)C)n1
InChIInChI=1S/C13H16FN5O/c1-8(2)20-13-18-11(15-3)17-12(19-13)16-10-6-4-9(14)5-7-10/h4-8H,1-3H3,(H2,15,16,17,18,19)
InChIKeyJPZCPTXOJNKACF-UHFFFAOYSA-N
MW277.30 g/mol
LogP2.58
Rot. Bonds5

About 2-N-(4-fluorophenyl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine

2-N-(4-fluorophenyl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine (PubChem CID 80760502) has the molecular formula C13H16FN5O and a molecular weight of 277.30 g/mol. Its IUPAC name is 2-N-(4-fluorophenyl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-fluorophenyl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
PubChem CID80760502
Molecular FormulaC13H16FN5O
Molecular Weight277.30 g/mol
Exact Mass277.13
IUPAC Name2-N-(4-fluorophenyl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(Nc2ccc(F)cc2)nc(OC(C)C)n1
InChIInChI=1S/C13H16FN5O/c1-8(2)20-13-18-11(15-3)17-12(19-13)16-10-6-4-9(14)5-7-10/h4-8H,1-3H3,(H2,15,16,17,18,19)
InChIKeyJPZCPTXOJNKACF-UHFFFAOYSA-N
XLogP2.58
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-(3-bromo-4-methylphenyl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80814615
2-N-(2-fluoro-4-methylphenyl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80729258
2-N-(4-bromophenyl)-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 3112025
N-(4-fluorophenyl)-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 2796483
2-N-(2-iodophenyl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80763052
2-N-(2,5-dibromophenyl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80781264
4-N-ethyl-2-N-(3-fluorophenyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80737117
2-N-(3,5-difluorophenyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80762087
4-chloro-N-(4-methoxyphenyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 62870184
2-N-(2-bromo-4-chlorophenyl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 81256501
2-N-(3,5-difluorophenyl)-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80762233
2-N-(4-fluorophenyl)-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80760934

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-fluorophenyl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(4-fluorophenyl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine (CID 80760502) is 2-N-(4-fluorophenyl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(4-fluorophenyl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(4-fluorophenyl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine is CNc1nc(Nc2ccc(F)cc2)nc(OC(C)C)n1.
What is the InChIKey of 2-N-(4-fluorophenyl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine?
The InChIKey is JPZCPTXOJNKACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN5O/c1-8(2)20-13-18-11(15-3)17-12(19-13)16-10-6-4-9(14)5-7-10/h4-8H,1-3H3,(H2,15,16,17,18,19).
What are the key properties of 2-N-(4-fluorophenyl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine?
2-N-(4-fluorophenyl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine has a molecular weight of 277.30 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-fluorophenyl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80760502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).