2-N-[2-(2,3-dihydrofuran-2-yl)ethyl]-6-methyl-1,3,5-triazine-2,4-diamine

C10H15N5O — CID 163475235

IUPAC2-N-[2-(2,3-dihydrofuran-2-yl)ethyl]-6-methyl-1,3,5-triazine-2,4-diamine
SMILESCc1nc(N)nc(NCCC2CC=CO2)n1
InChIInChI=1S/C10H15N5O/c1-7-13-9(11)15-10(14-7)12-5-4-8-3-2-6-16-8/h2,6,8H,3-5H2,1H3,(H3,11,12,13,14,15)
InChIKeyBZVXLTXYKZBGTR-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.87
Rot. Bonds4

About 2-N-[2-(2,3-dihydrofuran-2-yl)ethyl]-6-methyl-1,3,5-triazine-2,4-diamine

2-N-[2-(2,3-dihydrofuran-2-yl)ethyl]-6-methyl-1,3,5-triazine-2,4-diamine (PubChem CID 163475235) has the molecular formula C10H15N5O and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-N-[2-(2,3-dihydrofuran-2-yl)ethyl]-6-methyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[2-(2,3-dihydrofuran-2-yl)ethyl]-6-methyl-1,3,5-triazine-2,4-diamine
PubChem CID163475235
Molecular FormulaC10H15N5O
Molecular Weight221.26 g/mol
Exact Mass221.13
IUPAC Name2-N-[2-(2,3-dihydrofuran-2-yl)ethyl]-6-methyl-1,3,5-triazine-2,4-diamine
SMILESCc1nc(N)nc(NCCC2CC=CO2)n1
InChIInChI=1S/C10H15N5O/c1-7-13-9(11)15-10(14-7)12-5-4-8-3-2-6-16-8/h2,6,8H,3-5H2,1H3,(H3,11,12,13,14,15)
InChIKeyBZVXLTXYKZBGTR-UHFFFAOYSA-N
XLogP0.87
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(2,3-dihydrofuran-2-yl)ethyl]-6-methyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[2-(2,3-dihydrofuran-2-yl)ethyl]-6-methyl-1,3,5-triazine-2,4-diamine (CID 163475235) is 2-N-[2-(2,3-dihydrofuran-2-yl)ethyl]-6-methyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[2-(2,3-dihydrofuran-2-yl)ethyl]-6-methyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[2-(2,3-dihydrofuran-2-yl)ethyl]-6-methyl-1,3,5-triazine-2,4-diamine is Cc1nc(N)nc(NCCC2CC=CO2)n1.
What is the InChIKey of 2-N-[2-(2,3-dihydrofuran-2-yl)ethyl]-6-methyl-1,3,5-triazine-2,4-diamine?
The InChIKey is BZVXLTXYKZBGTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O/c1-7-13-9(11)15-10(14-7)12-5-4-8-3-2-6-16-8/h2,6,8H,3-5H2,1H3,(H3,11,12,13,14,15).
What are the key properties of 2-N-[2-(2,3-dihydrofuran-2-yl)ethyl]-6-methyl-1,3,5-triazine-2,4-diamine?
2-N-[2-(2,3-dihydrofuran-2-yl)ethyl]-6-methyl-1,3,5-triazine-2,4-diamine has a molecular weight of 221.26 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(2,3-dihydrofuran-2-yl)ethyl]-6-methyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 163475235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).