2-amino-1,4,5,6-tetrahydropyrimidin-3-ium-6-ol

C4H10N3O+ — CID 90642918

IUPAC2-amino-1,4,5,6-tetrahydropyrimidin-3-ium-6-ol
SMILESNC1=[NH+]CCC(O)N1
InChIInChI=1S/C4H9N3O/c5-4-6-2-1-3(8)7-4/h3,8H,1-2H2,(H3,5,6,7)/p+1
InChIKeyOGXDYWBMLYVBQS-UHFFFAOYSA-O
MW116.14 g/mol
LogP-3.31
Rot. Bonds

About 2-amino-1,4,5,6-tetrahydropyrimidin-3-ium-6-ol

2-amino-1,4,5,6-tetrahydropyrimidin-3-ium-6-ol (PubChem CID 90642918) has the molecular formula C4H10N3O+ and a molecular weight of 116.14 g/mol. Its IUPAC name is 2-amino-1,4,5,6-tetrahydropyrimidin-3-ium-6-ol.

Molecular Properties

Compound Name2-amino-1,4,5,6-tetrahydropyrimidin-3-ium-6-ol
PubChem CID90642918
Molecular FormulaC4H10N3O+
Molecular Weight116.14 g/mol
Exact Mass116.08
IUPAC Name2-amino-1,4,5,6-tetrahydropyrimidin-3-ium-6-ol
SMILESNC1=[NH+]CCC(O)N1
InChIInChI=1S/C4H9N3O/c5-4-6-2-1-3(8)7-4/h3,8H,1-2H2,(H3,5,6,7)/p+1
InChIKeyOGXDYWBMLYVBQS-UHFFFAOYSA-O
XLogP-3.31
TPSA72.25 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.14
LogP ≤ 5-3.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1,4,5,6-tetrahydropyrimidin-3-ium-6-ol?
The IUPAC name of 2-amino-1,4,5,6-tetrahydropyrimidin-3-ium-6-ol (CID 90642918) is 2-amino-1,4,5,6-tetrahydropyrimidin-3-ium-6-ol.
What is the SMILES notation for 2-amino-1,4,5,6-tetrahydropyrimidin-3-ium-6-ol?
The canonical SMILES for 2-amino-1,4,5,6-tetrahydropyrimidin-3-ium-6-ol is NC1=[NH+]CCC(O)N1.
What is the InChIKey of 2-amino-1,4,5,6-tetrahydropyrimidin-3-ium-6-ol?
The InChIKey is OGXDYWBMLYVBQS-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H9N3O/c5-4-6-2-1-3(8)7-4/h3,8H,1-2H2,(H3,5,6,7)/p+1.
What are the key properties of 2-amino-1,4,5,6-tetrahydropyrimidin-3-ium-6-ol?
2-amino-1,4,5,6-tetrahydropyrimidin-3-ium-6-ol has a molecular weight of 116.14 g/mol, XLogP of -3.31, 0 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1,4,5,6-tetrahydropyrimidin-3-ium-6-ol is sourced from PubChem (CID 90642918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).