tert-butyl 2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)acetate;hydroiodide

C10H20IN3O2 — CID 119135660

IUPACtert-butyl 2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)acetate;hydroiodide
SMILESCC(C)(C)OC(=O)CNC1=NCCCN1.I
InChIInChI=1S/C10H19N3O2.HI/c1-10(2,3)15-8(14)7-13-9-11-5-4-6-12-9;/h4-7H2,1-3H3,(H2,11,12,13);1H
InChIKeyHZOYVIXNFXREJC-UHFFFAOYSA-N
MW341.19 g/mol
LogP0.88
Rot. Bonds2

About tert-butyl 2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)acetate;hydroiodide

tert-butyl 2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)acetate;hydroiodide (PubChem CID 119135660) has the molecular formula C10H20IN3O2 and a molecular weight of 341.19 g/mol. Its IUPAC name is tert-butyl 2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)acetate;hydroiodide.

Molecular Properties

Compound Nametert-butyl 2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)acetate;hydroiodide
PubChem CID119135660
Molecular FormulaC10H20IN3O2
Molecular Weight341.19 g/mol
Exact Mass341.06
IUPAC Nametert-butyl 2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)acetate;hydroiodide
SMILESCC(C)(C)OC(=O)CNC1=NCCCN1.I
InChIInChI=1S/C10H19N3O2.HI/c1-10(2,3)15-8(14)7-13-9-11-5-4-6-12-9;/h4-7H2,1-3H3,(H2,11,12,13);1H
InChIKeyHZOYVIXNFXREJC-UHFFFAOYSA-N
XLogP0.88
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.19
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)acetate;hydroiodide?
The IUPAC name of tert-butyl 2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)acetate;hydroiodide (CID 119135660) is tert-butyl 2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)acetate;hydroiodide.
What is the SMILES notation for tert-butyl 2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)acetate;hydroiodide?
The canonical SMILES for tert-butyl 2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)acetate;hydroiodide is CC(C)(C)OC(=O)CNC1=NCCCN1.I.
What is the InChIKey of tert-butyl 2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)acetate;hydroiodide?
The InChIKey is HZOYVIXNFXREJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2.HI/c1-10(2,3)15-8(14)7-13-9-11-5-4-6-12-9;/h4-7H2,1-3H3,(H2,11,12,13);1H.
What are the key properties of tert-butyl 2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)acetate;hydroiodide?
tert-butyl 2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)acetate;hydroiodide has a molecular weight of 341.19 g/mol, XLogP of 0.88, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)acetate;hydroiodide is sourced from PubChem (CID 119135660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).