2-cyclohexylsulfanylpyrimidine-4-carboximidamide

C11H16N4S — CID 107551814

IUPAC2-cyclohexylsulfanylpyrimidine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(SC2CCCCC2)n1
InChIInChI=1S/C11H16N4S/c12-10(13)9-6-7-14-11(15-9)16-8-4-2-1-3-5-8/h6-8H,1-5H2,(H3,12,13)
InChIKeyBGOLJUZMWVZSFA-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.19
Rot. Bonds3

About 2-cyclohexylsulfanylpyrimidine-4-carboximidamide

2-cyclohexylsulfanylpyrimidine-4-carboximidamide (PubChem CID 107551814) has the molecular formula C11H16N4S and a molecular weight of 236.34 g/mol. Its IUPAC name is 2-cyclohexylsulfanylpyrimidine-4-carboximidamide.

Molecular Properties

Compound Name2-cyclohexylsulfanylpyrimidine-4-carboximidamide
PubChem CID107551814
Molecular FormulaC11H16N4S
Molecular Weight236.34 g/mol
Exact Mass236.11
IUPAC Name2-cyclohexylsulfanylpyrimidine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(SC2CCCCC2)n1
InChIInChI=1S/C11H16N4S/c12-10(13)9-6-7-14-11(15-9)16-8-4-2-1-3-5-8/h6-8H,1-5H2,(H3,12,13)
InChIKeyBGOLJUZMWVZSFA-UHFFFAOYSA-N
XLogP2.19
TPSA75.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.19
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-carboximidamide
CID 107551067
6-cyclohexylsulfanylpyridine-3-carboximidamide
CID 60887032
2-[(3-chloro-2-pyridinyl)sulfanyl]pyrimidine-4-carboximidamide
CID 107551875
2-(2-methoxyethylsulfanyl)pyrimidine-4-carboximidamide
CID 107551802
2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidine-4-carboximidamide
CID 107551920
5-cyclohexylpyridine-2-carboximidamide;hydrochloride
CID 53485023
2-(oxan-2-ylmethoxy)pyrimidine-4-carboximidamide
CID 107550899
2-[cyclopentyl(3-methylbutyl)amino]pyrimidine-4-carboximidamide
CID 107550615
6-cyclohexyloxypyridine-2-carboximidamide
CID 53485053
2-[cyclopropylmethyl(ethyl)amino]pyrimidine-4-carboximidamide
CID 107550528
2-(oxan-4-ylmethoxy)pyrimidine-4-carboximidamide
CID 107551116
2-(3,4-dimethylpiperidin-1-yl)pyrimidine-4-carboximidamide
CID 107550685

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylsulfanylpyrimidine-4-carboximidamide?
The IUPAC name of 2-cyclohexylsulfanylpyrimidine-4-carboximidamide (CID 107551814) is 2-cyclohexylsulfanylpyrimidine-4-carboximidamide.
What is the SMILES notation for 2-cyclohexylsulfanylpyrimidine-4-carboximidamide?
The canonical SMILES for 2-cyclohexylsulfanylpyrimidine-4-carboximidamide is [H]/N=C(\N)c1ccnc(SC2CCCCC2)n1.
What is the InChIKey of 2-cyclohexylsulfanylpyrimidine-4-carboximidamide?
The InChIKey is BGOLJUZMWVZSFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4S/c12-10(13)9-6-7-14-11(15-9)16-8-4-2-1-3-5-8/h6-8H,1-5H2,(H3,12,13).
What are the key properties of 2-cyclohexylsulfanylpyrimidine-4-carboximidamide?
2-cyclohexylsulfanylpyrimidine-4-carboximidamide has a molecular weight of 236.34 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylsulfanylpyrimidine-4-carboximidamide is sourced from PubChem (CID 107551814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).