4-cyclopentyl-6-(oxan-3-yl)-1,3,5-triazin-2-amine

C13H20N4O — CID 65333694

IUPAC4-cyclopentyl-6-(oxan-3-yl)-1,3,5-triazin-2-amine
SMILESNc1nc(C2CCCC2)nc(C2CCCOC2)n1
InChIInChI=1S/C13H20N4O/c14-13-16-11(9-4-1-2-5-9)15-12(17-13)10-6-3-7-18-8-10/h9-10H,1-8H2,(H2,14,15,16,17)
InChIKeyCLZOIORCBBIQTE-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.01
Rot. Bonds2

About 4-cyclopentyl-6-(oxan-3-yl)-1,3,5-triazin-2-amine

4-cyclopentyl-6-(oxan-3-yl)-1,3,5-triazin-2-amine (PubChem CID 65333694) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-cyclopentyl-6-(oxan-3-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-cyclopentyl-6-(oxan-3-yl)-1,3,5-triazin-2-amine
PubChem CID65333694
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name4-cyclopentyl-6-(oxan-3-yl)-1,3,5-triazin-2-amine
SMILESNc1nc(C2CCCC2)nc(C2CCCOC2)n1
InChIInChI=1S/C13H20N4O/c14-13-16-11(9-4-1-2-5-9)15-12(17-13)10-6-3-7-18-8-10/h9-10H,1-8H2,(H2,14,15,16,17)
InChIKeyCLZOIORCBBIQTE-UHFFFAOYSA-N
XLogP2.01
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-cyclopentyl-6-[(3S)-3-(methoxymethyl)piperidin-1-yl]-1,3,5-triazin-2-amine
CID 164636107
4-Cyclopentyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine
CID 103151163
4-Cyclopentyl-6-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazin-2-amine
CID 103151164
6-(Oxan-4-yl)-1,3,5-triazine-2,4-diamine
CID 112681329
6-(Oxan-4-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 175549083
4-Cyclopentyl-6-(oxolan-2-ylmethyl)-1,3,5-triazin-2-amine
CID 55251401
4-Cyclopentyl-6-(2-methoxyethyl)-1,3,5-triazin-2-amine
CID 63868488
4-Cyclohexyl-6-(2-methoxyethyl)-1,3,5-triazin-2-amine
CID 63868494
4-Cyclopentyl-6-(propoxymethyl)-1,3,5-triazin-2-amine
CID 63868624
4-Cyclohexyl-6-(oxolan-2-ylmethyl)-1,3,5-triazin-2-amine
CID 63868890
4-Cyclopentyl-6-(3-methoxypropyl)-1,3,5-triazin-2-amine
CID 65093697
4-Cyclopentyl-6-(oxolan-3-yl)-1,3,5-triazin-2-amine
CID 65329625

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-6-(oxan-3-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-cyclopentyl-6-(oxan-3-yl)-1,3,5-triazin-2-amine (CID 65333694) is 4-cyclopentyl-6-(oxan-3-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-cyclopentyl-6-(oxan-3-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-cyclopentyl-6-(oxan-3-yl)-1,3,5-triazin-2-amine is Nc1nc(C2CCCC2)nc(C2CCCOC2)n1.
What is the InChIKey of 4-cyclopentyl-6-(oxan-3-yl)-1,3,5-triazin-2-amine?
The InChIKey is CLZOIORCBBIQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c14-13-16-11(9-4-1-2-5-9)15-12(17-13)10-6-3-7-18-8-10/h9-10H,1-8H2,(H2,14,15,16,17).
What are the key properties of 4-cyclopentyl-6-(oxan-3-yl)-1,3,5-triazin-2-amine?
4-cyclopentyl-6-(oxan-3-yl)-1,3,5-triazin-2-amine has a molecular weight of 248.33 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-6-(oxan-3-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 65333694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).