2-butan-2-yloxypyrimidine-4-carboximidamide

C9H14N4O — CID 107551031

IUPAC2-butan-2-yloxypyrimidine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(OC(C)CC)n1
InChIInChI=1S/C9H14N4O/c1-3-6(2)14-9-12-5-4-7(13-9)8(10)11/h4-6H,3H2,1-2H3,(H3,10,11)
InChIKeyJUANGVTVJWSOSA-UHFFFAOYSA-N
MW194.24 g/mol
LogP0.94
Rot. Bonds4

About 2-butan-2-yloxypyrimidine-4-carboximidamide

2-butan-2-yloxypyrimidine-4-carboximidamide (PubChem CID 107551031) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 2-butan-2-yloxypyrimidine-4-carboximidamide.

Molecular Properties

Compound Name2-butan-2-yloxypyrimidine-4-carboximidamide
PubChem CID107551031
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name2-butan-2-yloxypyrimidine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(OC(C)CC)n1
InChIInChI=1S/C9H14N4O/c1-3-6(2)14-9-12-5-4-7(13-9)8(10)11/h4-6H,3H2,1-2H3,(H3,10,11)
InChIKeyJUANGVTVJWSOSA-UHFFFAOYSA-N
XLogP0.94
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 ≤ 50.94
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

2-(3-ethoxyphenoxy)pyrimidine-4-carboximidamide
CID 107551111
2-(4-chloro-3-ethylphenoxy)pyrimidine-4-carboximidamide
CID 107551013
6-methyl-2-pentan-2-yloxypyrimidine-4-carboximidamide
CID 107551256
2-(2-tert-butylphenoxy)pyrimidine-4-carboximidamide
CID 107550918
2-cycloheptyloxypyrimidine-4-carboximidamide
CID 107551067
2-(oxan-4-ylmethoxy)pyrimidine-4-carboximidamide
CID 107551116
2-pentan-2-yloxypyrimidine-4-carboxylic acid
CID 107555052
2-(2-propan-2-yloxypyrimidin-4-yl)ethanimidamide
CID 83878942
2-(oxolan-3-ylmethoxy)pyrimidine-4-carboximidamide
CID 107551091
2-(6-bromonaphthalen-2-yl)oxypyrimidine-4-carboximidamide
CID 107550845
2-(oxan-2-ylmethoxy)pyrimidine-4-carboximidamide
CID 107550899
2-(4-methoxy-2-nitrophenoxy)pyrimidine-4-carboximidamide
CID 107551054

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yloxypyrimidine-4-carboximidamide?
The IUPAC name of 2-butan-2-yloxypyrimidine-4-carboximidamide (CID 107551031) is 2-butan-2-yloxypyrimidine-4-carboximidamide.
What is the SMILES notation for 2-butan-2-yloxypyrimidine-4-carboximidamide?
The canonical SMILES for 2-butan-2-yloxypyrimidine-4-carboximidamide is [H]/N=C(\N)c1ccnc(OC(C)CC)n1.
What is the InChIKey of 2-butan-2-yloxypyrimidine-4-carboximidamide?
The InChIKey is JUANGVTVJWSOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-3-6(2)14-9-12-5-4-7(13-9)8(10)11/h4-6H,3H2,1-2H3,(H3,10,11).
What are the key properties of 2-butan-2-yloxypyrimidine-4-carboximidamide?
2-butan-2-yloxypyrimidine-4-carboximidamide has a molecular weight of 194.24 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yloxypyrimidine-4-carboximidamide is sourced from PubChem (CID 107551031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).