2-(oxolan-3-ylmethoxy)pyrimidine-4-carboximidamide

C10H14N4O2 — CID 107551091

IUPAC2-(oxolan-3-ylmethoxy)pyrimidine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(OCC2CCOC2)n1
InChIInChI=1S/C10H14N4O2/c11-9(12)8-1-3-13-10(14-8)16-6-7-2-4-15-5-7/h1,3,7H,2,4-6H2,(H3,11,12)
InChIKeyAGRKHEGDTKZOLH-UHFFFAOYSA-N
MW222.25 g/mol
LogP0.18
Rot. Bonds4

About 2-(oxolan-3-ylmethoxy)pyrimidine-4-carboximidamide

2-(oxolan-3-ylmethoxy)pyrimidine-4-carboximidamide (PubChem CID 107551091) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 2-(oxolan-3-ylmethoxy)pyrimidine-4-carboximidamide.

Molecular Properties

Compound Name2-(oxolan-3-ylmethoxy)pyrimidine-4-carboximidamide
PubChem CID107551091
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name2-(oxolan-3-ylmethoxy)pyrimidine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(OCC2CCOC2)n1
InChIInChI=1S/C10H14N4O2/c11-9(12)8-1-3-13-10(14-8)16-6-7-2-4-15-5-7/h1,3,7H,2,4-6H2,(H3,11,12)
InChIKeyAGRKHEGDTKZOLH-UHFFFAOYSA-N
XLogP0.18
TPSA94.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(oxan-4-ylmethoxy)pyrimidine-4-carboximidamide
CID 107551116
2-(oxan-2-ylmethoxy)pyrimidine-4-carboximidamide
CID 107550899
3-bromo-4-(oxolan-3-ylmethoxy)benzenecarboximidamide
CID 82799234
2-cycloheptyloxypyrimidine-4-carboximidamide
CID 107551067
2-fluoro-6-(oxolan-3-ylmethoxy)benzenecarboximidamide
CID 54977390
4-(oxolan-3-ylmethoxy)pyrimidin-2-amine
CID 68633908
2-butan-2-yloxypyrimidine-4-carboximidamide
CID 107551031
6-methyl-2-(oxan-4-ylmethoxy)pyridine-3-carboximidamide
CID 62382075
2-[cyclopropylmethyl(ethyl)amino]pyrimidine-4-carboximidamide
CID 107550528
2-(oxan-4-ylmethoxy)benzenecarboximidamide
CID 62381525
N'-hydroxy-2-(oxolan-3-ylmethoxy)pyridine-4-carboximidamide
CID 136845279
5-bromo-4-methoxy-2-(oxolan-3-ylmethoxy)pyrimidine
CID 106999301

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-3-ylmethoxy)pyrimidine-4-carboximidamide?
The IUPAC name of 2-(oxolan-3-ylmethoxy)pyrimidine-4-carboximidamide (CID 107551091) is 2-(oxolan-3-ylmethoxy)pyrimidine-4-carboximidamide.
What is the SMILES notation for 2-(oxolan-3-ylmethoxy)pyrimidine-4-carboximidamide?
The canonical SMILES for 2-(oxolan-3-ylmethoxy)pyrimidine-4-carboximidamide is [H]/N=C(\N)c1ccnc(OCC2CCOC2)n1.
What is the InChIKey of 2-(oxolan-3-ylmethoxy)pyrimidine-4-carboximidamide?
The InChIKey is AGRKHEGDTKZOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c11-9(12)8-1-3-13-10(14-8)16-6-7-2-4-15-5-7/h1,3,7H,2,4-6H2,(H3,11,12).
What are the key properties of 2-(oxolan-3-ylmethoxy)pyrimidine-4-carboximidamide?
2-(oxolan-3-ylmethoxy)pyrimidine-4-carboximidamide has a molecular weight of 222.25 g/mol, XLogP of 0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-3-ylmethoxy)pyrimidine-4-carboximidamide is sourced from PubChem (CID 107551091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).