4-[(2-methylpropan-2-yl)oxy]pyrimidine-5-carboximidamide

C9H14N4O — CID 130541715

IUPAC4-[(2-methylpropan-2-yl)oxy]pyrimidine-5-carboximidamide
SMILES[H]/N=C(\N)c1cncnc1OC(C)(C)C
InChIInChI=1S/C9H14N4O/c1-9(2,3)14-8-6(7(10)11)4-12-5-13-8/h4-5H,1-3H3,(H3,10,11)
InChIKeyFYZBFHQIJHZZAL-UHFFFAOYSA-N
MW194.24 g/mol
LogP0.94
Rot. Bonds2

About 4-[(2-methylpropan-2-yl)oxy]pyrimidine-5-carboximidamide

4-[(2-methylpropan-2-yl)oxy]pyrimidine-5-carboximidamide (PubChem CID 130541715) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 4-[(2-methylpropan-2-yl)oxy]pyrimidine-5-carboximidamide.

Molecular Properties

Compound Name4-[(2-methylpropan-2-yl)oxy]pyrimidine-5-carboximidamide
PubChem CID130541715
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name4-[(2-methylpropan-2-yl)oxy]pyrimidine-5-carboximidamide
SMILES[H]/N=C(\N)c1cncnc1OC(C)(C)C
InChIInChI=1S/C9H14N4O/c1-9(2,3)14-8-6(7(10)11)4-12-5-13-8/h4-5H,1-3H3,(H3,10,11)
InChIKeyFYZBFHQIJHZZAL-UHFFFAOYSA-N
XLogP0.94
TPSA84.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

4-[propyl(2,2,2-trifluoroethyl)amino]pyrimidine-5-carboximidamide
CID 112755775
4-piperidin-1-ylpyrimidine-5-carboximidamide
CID 83882552
3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-4-carboximidamide
CID 112587792
4-morpholin-4-ylpyrimidine-5-carboximidamide
CID 83883158
4-[methyl(oxan-4-yl)amino]pyrimidine-5-carboximidamide
CID 112755752
2-[(2-methylpropan-2-yl)oxy]quinoline-4-carboximidamide
CID 63884548
2-ethyl-4-propan-2-yloxypyrimidine-5-carboximidamide
CID 83883979
4-(benzimidazol-1-yl)pyrimidine-5-carboximidamide
CID 112755822
3-tert-butylimidazole-4-carboximidamide
CID 83873560
acetic acid;1,3,5-triazine-2-carboximidamide
CID 18358920
2-(2-methylbutan-2-yloxy)-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 79877400
2-(4-tert-butylphenoxy)pyridine-3-carboximidamide;hydrochloride
CID 82253632

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylpropan-2-yl)oxy]pyrimidine-5-carboximidamide?
The IUPAC name of 4-[(2-methylpropan-2-yl)oxy]pyrimidine-5-carboximidamide (CID 130541715) is 4-[(2-methylpropan-2-yl)oxy]pyrimidine-5-carboximidamide.
What is the SMILES notation for 4-[(2-methylpropan-2-yl)oxy]pyrimidine-5-carboximidamide?
The canonical SMILES for 4-[(2-methylpropan-2-yl)oxy]pyrimidine-5-carboximidamide is [H]/N=C(\N)c1cncnc1OC(C)(C)C.
What is the InChIKey of 4-[(2-methylpropan-2-yl)oxy]pyrimidine-5-carboximidamide?
The InChIKey is FYZBFHQIJHZZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-9(2,3)14-8-6(7(10)11)4-12-5-13-8/h4-5H,1-3H3,(H3,10,11).
What are the key properties of 4-[(2-methylpropan-2-yl)oxy]pyrimidine-5-carboximidamide?
4-[(2-methylpropan-2-yl)oxy]pyrimidine-5-carboximidamide has a molecular weight of 194.24 g/mol, XLogP of 0.94, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylpropan-2-yl)oxy]pyrimidine-5-carboximidamide is sourced from PubChem (CID 130541715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).