2-(2-propan-2-yloxypyrimidin-4-yl)ethanimidamide

C9H14N4O — CID 83878942

IUPAC2-(2-propan-2-yloxypyrimidin-4-yl)ethanimidamide
SMILES[H]/N=C(\N)Cc1ccnc(OC(C)C)n1
InChIInChI=1S/C9H14N4O/c1-6(2)14-9-12-4-3-7(13-9)5-8(10)11/h3-4,6H,5H2,1-2H3,(H3,10,11)
InChIKeyXEIUPGVNAIBNNK-UHFFFAOYSA-N
MW194.24 g/mol
LogP0.74
Rot. Bonds4

About 2-(2-propan-2-yloxypyrimidin-4-yl)ethanimidamide

2-(2-propan-2-yloxypyrimidin-4-yl)ethanimidamide (PubChem CID 83878942) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 2-(2-propan-2-yloxypyrimidin-4-yl)ethanimidamide.

Molecular Properties

Compound Name2-(2-propan-2-yloxypyrimidin-4-yl)ethanimidamide
PubChem CID83878942
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name2-(2-propan-2-yloxypyrimidin-4-yl)ethanimidamide
SMILES[H]/N=C(\N)Cc1ccnc(OC(C)C)n1
InChIInChI=1S/C9H14N4O/c1-6(2)14-9-12-4-3-7(13-9)5-8(10)11/h3-4,6H,5H2,1-2H3,(H3,10,11)
InChIKeyXEIUPGVNAIBNNK-UHFFFAOYSA-N
XLogP0.74
TPSA84.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 50.74
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

2-(2-propan-2-yloxypyrimidin-5-yl)ethanimidamide
CID 83878947
1-(2-propan-2-yloxypyrimidin-4-yl)propan-2-one
CID 83878775
2-butan-2-yloxypyrimidine-4-carboximidamide
CID 107551031
2-(6-methoxy-2-pyridinyl)ethanimidamide
CID 63986887
2-(5-propan-2-yloxy-3-pyridinyl)ethanimidamide
CID 83878395
ethane;2-propan-2-yloxypyrimidine
CID 159788973
4-tert-butyl-2-propan-2-yloxypyrimidine
CID 169042531
2-[4-(2-methylpropyl)-1,3-thiazol-2-yl]ethanimidamide
CID 149175653
2-(1-pentan-3-ylpyrazol-3-yl)ethanimidamide
CID 64784152
2-(6-ethoxypyrimidin-4-yl)ethanimidamide
CID 83875449
2-pyridin-4-ylethanimidamide
CID 5078674
2-[4-(2-methylpropyl)phenyl]ethanimidamide
CID 58177919

Frequently Asked Questions

What is the IUPAC name of 2-(2-propan-2-yloxypyrimidin-4-yl)ethanimidamide?
The IUPAC name of 2-(2-propan-2-yloxypyrimidin-4-yl)ethanimidamide (CID 83878942) is 2-(2-propan-2-yloxypyrimidin-4-yl)ethanimidamide.
What is the SMILES notation for 2-(2-propan-2-yloxypyrimidin-4-yl)ethanimidamide?
The canonical SMILES for 2-(2-propan-2-yloxypyrimidin-4-yl)ethanimidamide is [H]/N=C(\N)Cc1ccnc(OC(C)C)n1.
What is the InChIKey of 2-(2-propan-2-yloxypyrimidin-4-yl)ethanimidamide?
The InChIKey is XEIUPGVNAIBNNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-6(2)14-9-12-4-3-7(13-9)5-8(10)11/h3-4,6H,5H2,1-2H3,(H3,10,11).
What are the key properties of 2-(2-propan-2-yloxypyrimidin-4-yl)ethanimidamide?
2-(2-propan-2-yloxypyrimidin-4-yl)ethanimidamide has a molecular weight of 194.24 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propan-2-yloxypyrimidin-4-yl)ethanimidamide is sourced from PubChem (CID 83878942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).