2-N-(3-fluoro-5-methylphenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine

C14H17FN6 — CID 80834570

IUPAC2-N-(3-fluoro-5-methylphenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
SMILESCc1cc(F)cc(Nc2nc(N)nc(N3CCCC3)n2)c1
InChIInChI=1S/C14H17FN6/c1-9-6-10(15)8-11(7-9)17-13-18-12(16)19-14(20-13)21-4-2-3-5-21/h6-8H,2-5H2,1H3,(H3,16,17,18,19,20)
InChIKeySEBHXQPGYASQQH-UHFFFAOYSA-N
MW288.33 g/mol
LogP2.25
Rot. Bonds3

About 2-N-(3-fluoro-5-methylphenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine

2-N-(3-fluoro-5-methylphenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine (PubChem CID 80834570) has the molecular formula C14H17FN6 and a molecular weight of 288.33 g/mol. Its IUPAC name is 2-N-(3-fluoro-5-methylphenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3-fluoro-5-methylphenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
PubChem CID80834570
Molecular FormulaC14H17FN6
Molecular Weight288.33 g/mol
Exact Mass288.15
IUPAC Name2-N-(3-fluoro-5-methylphenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
SMILESCc1cc(F)cc(Nc2nc(N)nc(N3CCCC3)n2)c1
InChIInChI=1S/C14H17FN6/c1-9-6-10(15)8-11(7-9)17-13-18-12(16)19-14(20-13)21-4-2-3-5-21/h6-8H,2-5H2,1H3,(H3,16,17,18,19,20)
InChIKeySEBHXQPGYASQQH-UHFFFAOYSA-N
XLogP2.25
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-(3-fluoro-5-methylphenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(3-fluoro-5-methylphenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine (CID 80834570) is 2-N-(3-fluoro-5-methylphenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(3-fluoro-5-methylphenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(3-fluoro-5-methylphenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine is Cc1cc(F)cc(Nc2nc(N)nc(N3CCCC3)n2)c1.
What is the InChIKey of 2-N-(3-fluoro-5-methylphenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is SEBHXQPGYASQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN6/c1-9-6-10(15)8-11(7-9)17-13-18-12(16)19-14(20-13)21-4-2-3-5-21/h6-8H,2-5H2,1H3,(H3,16,17,18,19,20).
What are the key properties of 2-N-(3-fluoro-5-methylphenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
2-N-(3-fluoro-5-methylphenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 288.33 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-fluoro-5-methylphenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80834570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).