4-cyclopropyl-6-(oxolan-2-ylmethyl)-1,3,5-triazin-2-amine

C11H16N4O — CID 63867613

IUPAC4-cyclopropyl-6-(oxolan-2-ylmethyl)-1,3,5-triazin-2-amine
SMILESNc1nc(CC2CCCO2)nc(C2CC2)n1
InChIInChI=1S/C11H16N4O/c12-11-14-9(6-8-2-1-5-16-8)13-10(15-11)7-3-4-7/h7-8H,1-6H2,(H2,12,13,14,15)
InChIKeySUTWWVQCQPUAJG-UHFFFAOYSA-N
MW220.28 g/mol
LogP1.05
Rot. Bonds3

About 4-cyclopropyl-6-(oxolan-2-ylmethyl)-1,3,5-triazin-2-amine

4-cyclopropyl-6-(oxolan-2-ylmethyl)-1,3,5-triazin-2-amine (PubChem CID 63867613) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 4-cyclopropyl-6-(oxolan-2-ylmethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-cyclopropyl-6-(oxolan-2-ylmethyl)-1,3,5-triazin-2-amine
PubChem CID63867613
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name4-cyclopropyl-6-(oxolan-2-ylmethyl)-1,3,5-triazin-2-amine
SMILESNc1nc(CC2CCCO2)nc(C2CC2)n1
InChIInChI=1S/C11H16N4O/c12-11-14-9(6-8-2-1-5-16-8)13-10(15-11)7-3-4-7/h7-8H,1-6H2,(H2,12,13,14,15)
InChIKeySUTWWVQCQPUAJG-UHFFFAOYSA-N
XLogP1.05
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-6-(oxolan-2-ylmethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-cyclopropyl-6-(oxolan-2-ylmethyl)-1,3,5-triazin-2-amine (CID 63867613) is 4-cyclopropyl-6-(oxolan-2-ylmethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-cyclopropyl-6-(oxolan-2-ylmethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-cyclopropyl-6-(oxolan-2-ylmethyl)-1,3,5-triazin-2-amine is Nc1nc(CC2CCCO2)nc(C2CC2)n1.
What is the InChIKey of 4-cyclopropyl-6-(oxolan-2-ylmethyl)-1,3,5-triazin-2-amine?
The InChIKey is SUTWWVQCQPUAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c12-11-14-9(6-8-2-1-5-16-8)13-10(15-11)7-3-4-7/h7-8H,1-6H2,(H2,12,13,14,15).
What are the key properties of 4-cyclopropyl-6-(oxolan-2-ylmethyl)-1,3,5-triazin-2-amine?
4-cyclopropyl-6-(oxolan-2-ylmethyl)-1,3,5-triazin-2-amine has a molecular weight of 220.28 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-6-(oxolan-2-ylmethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 63867613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).