6-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine

C8H13N5O — CID 112681350

IUPAC6-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(CC2CCCO2)n1
InChIInChI=1S/C8H13N5O/c9-7-11-6(12-8(10)13-7)4-5-2-1-3-14-5/h5H,1-4H2,(H4,9,10,11,12,13)
InChIKeyOVARPVUNAULONC-UHFFFAOYSA-N
MW195.23 g/mol
LogP-0.24
Rot. Bonds2

About 6-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine

6-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 112681350) has the molecular formula C8H13N5O and a molecular weight of 195.23 g/mol. Its IUPAC name is 6-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine
PubChem CID112681350
Molecular FormulaC8H13N5O
Molecular Weight195.23 g/mol
Exact Mass195.11
IUPAC Name6-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(CC2CCCO2)n1
InChIInChI=1S/C8H13N5O/c9-7-11-6(12-8(10)13-7)4-5-2-1-3-14-5/h5H,1-4H2,(H4,9,10,11,12,13)
InChIKeyOVARPVUNAULONC-UHFFFAOYSA-N
XLogP-0.24
TPSA99.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-amine
CID 65159319
2-(oxolan-2-ylmethyl)pyrimidin-5-amine
CID 43142229
6-tert-butyl-2-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 62191028
5-(oxolan-2-ylmethyl)-1,2,4-thiadiazol-3-amine
CID 65159398
3-[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]propan-1-amine
CID 55113677
2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 61265926
2-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 117154126
[(2R)-oxolan-2-yl]methanamine
CID 2734124
5-iodo-2-(oxan-2-ylmethyl)-6-propylpyrimidin-4-amine
CID 113391678
[5-ethyl-6-methyl-2-(oxolan-2-ylmethyl)pyrimidin-4-yl]hydrazine
CID 62251234
6-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine
CID 24523086
2-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 117155468

Frequently Asked Questions

What is the IUPAC name of 6-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine (CID 112681350) is 6-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine is Nc1nc(N)nc(CC2CCCO2)n1.
What is the InChIKey of 6-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is OVARPVUNAULONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O/c9-7-11-6(12-8(10)13-7)4-5-2-1-3-14-5/h5H,1-4H2,(H4,9,10,11,12,13).
What are the key properties of 6-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine?
6-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 195.23 g/mol, XLogP of -0.24, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 112681350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).