2-(thiolan-3-ylamino)-1,4,5,6-tetrahydropyrimidin-5-ol

C8H15N3OS — CID 164647864

IUPAC2-(thiolan-3-ylamino)-1,4,5,6-tetrahydropyrimidin-5-ol
SMILESOC1CN=C(NC2CCSC2)NC1
InChIInChI=1S/C8H15N3OS/c12-7-3-9-8(10-4-7)11-6-1-2-13-5-6/h6-7,12H,1-5H2,(H2,9,10,11)
InChIKeyQOHUEHSJGMPVHW-UHFFFAOYSA-N
MW201.29 g/mol
LogP-0.60
Rot. Bonds1

About 2-(thiolan-3-ylamino)-1,4,5,6-tetrahydropyrimidin-5-ol

2-(thiolan-3-ylamino)-1,4,5,6-tetrahydropyrimidin-5-ol (PubChem CID 164647864) has the molecular formula C8H15N3OS and a molecular weight of 201.29 g/mol. Its IUPAC name is 2-(thiolan-3-ylamino)-1,4,5,6-tetrahydropyrimidin-5-ol.

Molecular Properties

Compound Name2-(thiolan-3-ylamino)-1,4,5,6-tetrahydropyrimidin-5-ol
PubChem CID164647864
Molecular FormulaC8H15N3OS
Molecular Weight201.29 g/mol
Exact Mass201.09
IUPAC Name2-(thiolan-3-ylamino)-1,4,5,6-tetrahydropyrimidin-5-ol
SMILESOC1CN=C(NC2CCSC2)NC1
InChIInChI=1S/C8H15N3OS/c12-7-3-9-8(10-4-7)11-6-1-2-13-5-6/h6-7,12H,1-5H2,(H2,9,10,11)
InChIKeyQOHUEHSJGMPVHW-UHFFFAOYSA-N
XLogP-0.60
TPSA56.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 5-0.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(thiolan-3-ylamino)-1,4,5,6-tetrahydropyrimidin-5-ol?
The IUPAC name of 2-(thiolan-3-ylamino)-1,4,5,6-tetrahydropyrimidin-5-ol (CID 164647864) is 2-(thiolan-3-ylamino)-1,4,5,6-tetrahydropyrimidin-5-ol.
What is the SMILES notation for 2-(thiolan-3-ylamino)-1,4,5,6-tetrahydropyrimidin-5-ol?
The canonical SMILES for 2-(thiolan-3-ylamino)-1,4,5,6-tetrahydropyrimidin-5-ol is OC1CN=C(NC2CCSC2)NC1.
What is the InChIKey of 2-(thiolan-3-ylamino)-1,4,5,6-tetrahydropyrimidin-5-ol?
The InChIKey is QOHUEHSJGMPVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3OS/c12-7-3-9-8(10-4-7)11-6-1-2-13-5-6/h6-7,12H,1-5H2,(H2,9,10,11).
What are the key properties of 2-(thiolan-3-ylamino)-1,4,5,6-tetrahydropyrimidin-5-ol?
2-(thiolan-3-ylamino)-1,4,5,6-tetrahydropyrimidin-5-ol has a molecular weight of 201.29 g/mol, XLogP of -0.60, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiolan-3-ylamino)-1,4,5,6-tetrahydropyrimidin-5-ol is sourced from PubChem (CID 164647864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).