2-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)methyl]-1,4,5,6-tetrahydropyrimidin-5-ol

C9H16N4O2 — CID 20661632

IUPAC2-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)methyl]-1,4,5,6-tetrahydropyrimidin-5-ol
SMILESOC1CN=C(CC2=NCC(O)CN2)NC1
InChIInChI=1S/C9H16N4O2/c14-6-2-10-8(11-3-6)1-9-12-4-7(15)5-13-9/h6-7,14-15H,1-5H2,(H,10,11)(H,12,13)
InChIKeyITVFXTVUPYDKOY-UHFFFAOYSA-N
MW212.25 g/mol
LogP-1.90
Rot. Bonds2

About 2-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)methyl]-1,4,5,6-tetrahydropyrimidin-5-ol

2-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)methyl]-1,4,5,6-tetrahydropyrimidin-5-ol (PubChem CID 20661632) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 2-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)methyl]-1,4,5,6-tetrahydropyrimidin-5-ol.

Molecular Properties

Compound Name2-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)methyl]-1,4,5,6-tetrahydropyrimidin-5-ol
PubChem CID20661632
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Name2-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)methyl]-1,4,5,6-tetrahydropyrimidin-5-ol
SMILESOC1CN=C(CC2=NCC(O)CN2)NC1
InChIInChI=1S/C9H16N4O2/c14-6-2-10-8(11-3-6)1-9-12-4-7(15)5-13-9/h6-7,14-15H,1-5H2,(H,10,11)(H,12,13)
InChIKeyITVFXTVUPYDKOY-UHFFFAOYSA-N
XLogP-1.90
TPSA89.24 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-1.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)methyl]-1,4,5,6-tetrahydropyrimidin-5-ol?
The IUPAC name of 2-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)methyl]-1,4,5,6-tetrahydropyrimidin-5-ol (CID 20661632) is 2-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)methyl]-1,4,5,6-tetrahydropyrimidin-5-ol.
What is the SMILES notation for 2-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)methyl]-1,4,5,6-tetrahydropyrimidin-5-ol?
The canonical SMILES for 2-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)methyl]-1,4,5,6-tetrahydropyrimidin-5-ol is OC1CN=C(CC2=NCC(O)CN2)NC1.
What is the InChIKey of 2-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)methyl]-1,4,5,6-tetrahydropyrimidin-5-ol?
The InChIKey is ITVFXTVUPYDKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c14-6-2-10-8(11-3-6)1-9-12-4-7(15)5-13-9/h6-7,14-15H,1-5H2,(H,10,11)(H,12,13).
What are the key properties of 2-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)methyl]-1,4,5,6-tetrahydropyrimidin-5-ol?
2-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)methyl]-1,4,5,6-tetrahydropyrimidin-5-ol has a molecular weight of 212.25 g/mol, XLogP of -1.90, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)methyl]-1,4,5,6-tetrahydropyrimidin-5-ol is sourced from PubChem (CID 20661632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).