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

C12H13F2N5O — CID 80762087

IUPAC2-N-(3,5-difluorophenyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
SMILESCC(C)Oc1nc(N)nc(Nc2cc(F)cc(F)c2)n1
InChIInChI=1S/C12H13F2N5O/c1-6(2)20-12-18-10(15)17-11(19-12)16-9-4-7(13)3-8(14)5-9/h3-6H,1-2H3,(H3,15,16,17,18,19)
InChIKeyAXXCBECFJNUCOR-UHFFFAOYSA-N
MW281.27 g/mol
LogP2.26
Rot. Bonds4

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

2-N-(3,5-difluorophenyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine (PubChem CID 80762087) has the molecular formula C12H13F2N5O and a molecular weight of 281.27 g/mol. Its IUPAC name is 2-N-(3,5-difluorophenyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3,5-difluorophenyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
PubChem CID80762087
Molecular FormulaC12H13F2N5O
Molecular Weight281.27 g/mol
Exact Mass281.11
IUPAC Name2-N-(3,5-difluorophenyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
SMILESCC(C)Oc1nc(N)nc(Nc2cc(F)cc(F)c2)n1
InChIInChI=1S/C12H13F2N5O/c1-6(2)20-12-18-10(15)17-11(19-12)16-9-4-7(13)3-8(14)5-9/h3-6H,1-2H3,(H3,15,16,17,18,19)
InChIKeyAXXCBECFJNUCOR-UHFFFAOYSA-N
XLogP2.26
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

2-N-(3-ethoxyphenyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80785420
2-N-(2,4-dibromophenyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80800480
2-N-(2,3-dimethylphenyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80762248
2-N-(3,3-dimethylbutan-2-yl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 104830638
2-N-(4-fluorophenyl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80760502
2-N-(4-fluorophenyl)-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80760934
4-N-ethyl-2-N-(3-fluorophenyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80737117
2-N-(2-bromo-5-methoxyphenyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80830555
2-N-(2-ethylphenyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80762007
6-propan-2-yloxy-2-N-(2-propylphenyl)-1,3,5-triazine-2,4-diamine
CID 80784471
2-N-(3,5-difluorophenyl)-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80762233
2-N-cyclopropyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80765120

Frequently Asked Questions

What is the IUPAC name of 2-N-(3,5-difluorophenyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(3,5-difluorophenyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine (CID 80762087) is 2-N-(3,5-difluorophenyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(3,5-difluorophenyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(3,5-difluorophenyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine is CC(C)Oc1nc(N)nc(Nc2cc(F)cc(F)c2)n1.
What is the InChIKey of 2-N-(3,5-difluorophenyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine?
The InChIKey is AXXCBECFJNUCOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N5O/c1-6(2)20-12-18-10(15)17-11(19-12)16-9-4-7(13)3-8(14)5-9/h3-6H,1-2H3,(H3,15,16,17,18,19).
What are the key properties of 2-N-(3,5-difluorophenyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine?
2-N-(3,5-difluorophenyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine has a molecular weight of 281.27 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3,5-difluorophenyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80762087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).