[3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)oxolan-3-yl]methanol

C9H17N3O2 — CID 130816362

IUPAC[3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)oxolan-3-yl]methanol
SMILESOCC1(NC2=NCCCN2)CCOC1
InChIInChI=1S/C9H17N3O2/c13-6-9(2-5-14-7-9)12-8-10-3-1-4-11-8/h13H,1-7H2,(H2,10,11,12)
InChIKeyCOUUTFPVCQNEIA-UHFFFAOYSA-N
MW199.25 g/mol
LogP-0.92
Rot. Bonds2

About [3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)oxolan-3-yl]methanol

[3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)oxolan-3-yl]methanol (PubChem CID 130816362) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is [3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)oxolan-3-yl]methanol.

Molecular Properties

Compound Name[3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)oxolan-3-yl]methanol
PubChem CID130816362
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name[3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)oxolan-3-yl]methanol
SMILESOCC1(NC2=NCCCN2)CCOC1
InChIInChI=1S/C9H17N3O2/c13-6-9(2-5-14-7-9)12-8-10-3-1-4-11-8/h13H,1-7H2,(H2,10,11,12)
InChIKeyCOUUTFPVCQNEIA-UHFFFAOYSA-N
XLogP-0.92
TPSA65.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 5-0.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)oxolan-3-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)oxolan-3-yl]methanol?
The IUPAC name of [3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)oxolan-3-yl]methanol (CID 130816362) is [3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)oxolan-3-yl]methanol.
What is the SMILES notation for [3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)oxolan-3-yl]methanol?
The canonical SMILES for [3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)oxolan-3-yl]methanol is OCC1(NC2=NCCCN2)CCOC1.
What is the InChIKey of [3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)oxolan-3-yl]methanol?
The InChIKey is COUUTFPVCQNEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c13-6-9(2-5-14-7-9)12-8-10-3-1-4-11-8/h13H,1-7H2,(H2,10,11,12).
What are the key properties of [3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)oxolan-3-yl]methanol?
[3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)oxolan-3-yl]methanol has a molecular weight of 199.25 g/mol, XLogP of -0.92, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)oxolan-3-yl]methanol is sourced from PubChem (CID 130816362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).