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

C14H18FN5O — CID 80737117

IUPAC4-N-ethyl-2-N-(3-fluorophenyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(Nc2cccc(F)c2)nc(OC(C)C)n1
InChIInChI=1S/C14H18FN5O/c1-4-16-12-18-13(20-14(19-12)21-9(2)3)17-11-7-5-6-10(15)8-11/h5-9H,4H2,1-3H3,(H2,16,17,18,19,20)
InChIKeySSBSNLAWWFSDNC-UHFFFAOYSA-N
MW291.33 g/mol
LogP2.97
Rot. Bonds6

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

4-N-ethyl-2-N-(3-fluorophenyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine (PubChem CID 80737117) has the molecular formula C14H18FN5O and a molecular weight of 291.33 g/mol. Its IUPAC name is 4-N-ethyl-2-N-(3-fluorophenyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-2-N-(3-fluorophenyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
PubChem CID80737117
Molecular FormulaC14H18FN5O
Molecular Weight291.33 g/mol
Exact Mass291.15
IUPAC Name4-N-ethyl-2-N-(3-fluorophenyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(Nc2cccc(F)c2)nc(OC(C)C)n1
InChIInChI=1S/C14H18FN5O/c1-4-16-12-18-13(20-14(19-12)21-9(2)3)17-11-7-5-6-10(15)8-11/h5-9H,4H2,1-3H3,(H2,16,17,18,19,20)
InChIKeySSBSNLAWWFSDNC-UHFFFAOYSA-N
XLogP2.97
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-N-ethyl-2-N-(3-fluorophenyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

2-N-(3-ethoxyphenyl)-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80785951
2-N-(3-bromophenyl)-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80760425
2-N-(3-ethoxyphenyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80785420
2-N-(4-fluorophenyl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80760502
4-N-ethyl-6-methoxy-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 80768361
2-N-(3,5-difluorophenyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80762087
2-N-(3-bromophenyl)-4-N-ethyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80736601
4-N-ethyl-2-N-(3-fluoro-4-methoxyphenyl)-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80773421
4-benzylsulfanyl-N-ethyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80871999
N-ethyl-4-(2-iodophenoxy)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80874891
N-ethyl-4-(3-methylphenyl)sulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80883594
2-N-(2,3-dimethylbutyl)-4-N-ethyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80844599

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-2-N-(3-fluorophenyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-ethyl-2-N-(3-fluorophenyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine (CID 80737117) is 4-N-ethyl-2-N-(3-fluorophenyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-ethyl-2-N-(3-fluorophenyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-ethyl-2-N-(3-fluorophenyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine is CCNc1nc(Nc2cccc(F)c2)nc(OC(C)C)n1.
What is the InChIKey of 4-N-ethyl-2-N-(3-fluorophenyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine?
The InChIKey is SSBSNLAWWFSDNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN5O/c1-4-16-12-18-13(20-14(19-12)21-9(2)3)17-11-7-5-6-10(15)8-11/h5-9H,4H2,1-3H3,(H2,16,17,18,19,20).
What are the key properties of 4-N-ethyl-2-N-(3-fluorophenyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine?
4-N-ethyl-2-N-(3-fluorophenyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine has a molecular weight of 291.33 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-2-N-(3-fluorophenyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80737117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).