(6S)-6-(1,3,5-triazin-2-ylamino)spiro[2.4]heptan-2-ol

C10H14N4O — CID 142588273

IUPAC(6S)-6-(1,3,5-triazin-2-ylamino)spiro[2.4]heptan-2-ol
SMILESOC1CC12CC[C@H](Nc1ncncn1)C2
InChIInChI=1S/C10H14N4O/c15-8-4-10(8)2-1-7(3-10)14-9-12-5-11-6-13-9/h5-8,15H,1-4H2,(H,11,12,13,14)/t7-,8?,10?/m0/s1
InChIKeyQBVOKNNCVBRDFF-JEUQWKINSA-N
MW206.25 g/mol
LogP0.59
Rot. Bonds2

About (6S)-6-(1,3,5-triazin-2-ylamino)spiro[2.4]heptan-2-ol

(6S)-6-(1,3,5-triazin-2-ylamino)spiro[2.4]heptan-2-ol (PubChem CID 142588273) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is (6S)-6-(1,3,5-triazin-2-ylamino)spiro[2.4]heptan-2-ol.

Molecular Properties

Compound Name(6S)-6-(1,3,5-triazin-2-ylamino)spiro[2.4]heptan-2-ol
PubChem CID142588273
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name(6S)-6-(1,3,5-triazin-2-ylamino)spiro[2.4]heptan-2-ol
SMILESOC1CC12CC[C@H](Nc1ncncn1)C2
InChIInChI=1S/C10H14N4O/c15-8-4-10(8)2-1-7(3-10)14-9-12-5-11-6-13-9/h5-8,15H,1-4H2,(H,11,12,13,14)/t7-,8?,10?/m0/s1
InChIKeyQBVOKNNCVBRDFF-JEUQWKINSA-N
XLogP0.59
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6S)-6-(1,3,5-triazin-2-ylamino)spiro[2.4]heptan-2-ol?
The IUPAC name of (6S)-6-(1,3,5-triazin-2-ylamino)spiro[2.4]heptan-2-ol (CID 142588273) is (6S)-6-(1,3,5-triazin-2-ylamino)spiro[2.4]heptan-2-ol.
What is the SMILES notation for (6S)-6-(1,3,5-triazin-2-ylamino)spiro[2.4]heptan-2-ol?
The canonical SMILES for (6S)-6-(1,3,5-triazin-2-ylamino)spiro[2.4]heptan-2-ol is OC1CC12CC[C@H](Nc1ncncn1)C2.
What is the InChIKey of (6S)-6-(1,3,5-triazin-2-ylamino)spiro[2.4]heptan-2-ol?
The InChIKey is QBVOKNNCVBRDFF-JEUQWKINSA-N. The full InChI is InChI=1S/C10H14N4O/c15-8-4-10(8)2-1-7(3-10)14-9-12-5-11-6-13-9/h5-8,15H,1-4H2,(H,11,12,13,14)/t7-,8?,10?/m0/s1.
What are the key properties of (6S)-6-(1,3,5-triazin-2-ylamino)spiro[2.4]heptan-2-ol?
(6S)-6-(1,3,5-triazin-2-ylamino)spiro[2.4]heptan-2-ol has a molecular weight of 206.25 g/mol, XLogP of 0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-(1,3,5-triazin-2-ylamino)spiro[2.4]heptan-2-ol is sourced from PubChem (CID 142588273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).