4-N-ethyl-6-phenoxy-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine

C14H19N5O — CID 23000

IUPAC4-N-ethyl-6-phenoxy-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(NC(C)C)nc(Oc2ccccc2)n1
InChIInChI=1S/C14H19N5O/c1-4-15-12-17-13(16-10(2)3)19-14(18-12)20-11-8-6-5-7-9-11/h5-10H,4H2,1-3H3,(H2,15,16,17,18,19)
InChIKeyBQPQSUVFRAGHAO-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.92
Rot. Bonds6

About 4-N-ethyl-6-phenoxy-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine

4-N-ethyl-6-phenoxy-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine (PubChem CID 23000) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 4-N-ethyl-6-phenoxy-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-6-phenoxy-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
PubChem CID23000
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name4-N-ethyl-6-phenoxy-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(NC(C)C)nc(Oc2ccccc2)n1
InChIInChI=1S/C14H19N5O/c1-4-15-12-17-13(16-10(2)3)19-14(18-12)20-11-8-6-5-7-9-11/h5-10H,4H2,1-3H3,(H2,15,16,17,18,19)
InChIKeyBQPQSUVFRAGHAO-UHFFFAOYSA-N
XLogP2.92
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-6-phenoxy-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-ethyl-6-phenoxy-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine (CID 23000) is 4-N-ethyl-6-phenoxy-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-ethyl-6-phenoxy-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-ethyl-6-phenoxy-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine is CCNc1nc(NC(C)C)nc(Oc2ccccc2)n1.
What is the InChIKey of 4-N-ethyl-6-phenoxy-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is BQPQSUVFRAGHAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-4-15-12-17-13(16-10(2)3)19-14(18-12)20-11-8-6-5-7-9-11/h5-10H,4H2,1-3H3,(H2,15,16,17,18,19).
What are the key properties of 4-N-ethyl-6-phenoxy-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
4-N-ethyl-6-phenoxy-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 273.34 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-6-phenoxy-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 23000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).