2-cycloheptyloxypyrimidine-4-carboximidamide

C12H18N4O — CID 107551067

IUPAC2-cycloheptyloxypyrimidine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(OC2CCCCCC2)n1
InChIInChI=1S/C12H18N4O/c13-11(14)10-7-8-15-12(16-10)17-9-5-3-1-2-4-6-9/h7-9H,1-6H2,(H3,13,14)
InChIKeyMUZOCTGBAJFFFE-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.86
Rot. Bonds3

About 2-cycloheptyloxypyrimidine-4-carboximidamide

2-cycloheptyloxypyrimidine-4-carboximidamide (PubChem CID 107551067) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-cycloheptyloxypyrimidine-4-carboximidamide.

Molecular Properties

Compound Name2-cycloheptyloxypyrimidine-4-carboximidamide
PubChem CID107551067
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name2-cycloheptyloxypyrimidine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(OC2CCCCCC2)n1
InChIInChI=1S/C12H18N4O/c13-11(14)10-7-8-15-12(16-10)17-9-5-3-1-2-4-6-9/h7-9H,1-6H2,(H3,13,14)
InChIKeyMUZOCTGBAJFFFE-UHFFFAOYSA-N
XLogP1.86
TPSA84.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.86
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-cycloheptyloxypyrimidine-4-carbothioamide
CID 107548590
2-cycloheptyloxy-N'-hydroxypyrimidine-4-carboximidamide
CID 136907287
6-cyclohexyloxypyridine-2-carboximidamide
CID 53485053
2-(oxan-2-ylmethoxy)pyrimidine-4-carboximidamide
CID 107550899
2-cyclohexylsulfanylpyrimidine-4-carboximidamide
CID 107551814
4-amino-2-cyclopentyloxypyrimidine-5-carboximidamide
CID 70689972
2-(oxan-4-ylmethoxy)pyrimidine-4-carboximidamide
CID 107551116
2-(oxolan-3-ylmethoxy)pyrimidine-4-carboximidamide
CID 107551091
2-(2-tert-butylphenoxy)pyrimidine-4-carboximidamide
CID 107550918
2-(6-bromonaphthalen-2-yl)oxypyrimidine-4-carboximidamide
CID 107550845
2-butan-2-yloxypyrimidine-4-carboximidamide
CID 107551031
2-cycloheptyloxypyrimidine-4-carbonitrile
CID 107545864

Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyloxypyrimidine-4-carboximidamide?
The IUPAC name of 2-cycloheptyloxypyrimidine-4-carboximidamide (CID 107551067) is 2-cycloheptyloxypyrimidine-4-carboximidamide.
What is the SMILES notation for 2-cycloheptyloxypyrimidine-4-carboximidamide?
The canonical SMILES for 2-cycloheptyloxypyrimidine-4-carboximidamide is [H]/N=C(\N)c1ccnc(OC2CCCCCC2)n1.
What is the InChIKey of 2-cycloheptyloxypyrimidine-4-carboximidamide?
The InChIKey is MUZOCTGBAJFFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c13-11(14)10-7-8-15-12(16-10)17-9-5-3-1-2-4-6-9/h7-9H,1-6H2,(H3,13,14).
What are the key properties of 2-cycloheptyloxypyrimidine-4-carboximidamide?
2-cycloheptyloxypyrimidine-4-carboximidamide has a molecular weight of 234.30 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyloxypyrimidine-4-carboximidamide is sourced from PubChem (CID 107551067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).