2-(4,4-difluoropiperidin-1-yl)-N'-methanimidoylpyrimidine-5-carboximidamide

C11H14F2N6 — CID 123233690

IUPAC2-(4,4-difluoropiperidin-1-yl)-N'-methanimidoylpyrimidine-5-carboximidamide
SMILES[H]/N=C/N=C(\N)c1cnc(N2CCC(F)(F)CC2)nc1
InChIInChI=1S/C11H14F2N6/c12-11(13)1-3-19(4-2-11)10-16-5-8(6-17-10)9(15)18-7-14/h5-7H,1-4H2,(H3,14,15,18)
InChIKeyQXELAZNXUDETKF-UHFFFAOYSA-N
MW268.27 g/mol
LogP1.02
Rot. Bonds3

About 2-(4,4-difluoropiperidin-1-yl)-N'-methanimidoylpyrimidine-5-carboximidamide

2-(4,4-difluoropiperidin-1-yl)-N'-methanimidoylpyrimidine-5-carboximidamide (PubChem CID 123233690) has the molecular formula C11H14F2N6 and a molecular weight of 268.27 g/mol. Its IUPAC name is 2-(4,4-difluoropiperidin-1-yl)-N'-methanimidoylpyrimidine-5-carboximidamide.

Molecular Properties

Compound Name2-(4,4-difluoropiperidin-1-yl)-N'-methanimidoylpyrimidine-5-carboximidamide
PubChem CID123233690
Molecular FormulaC11H14F2N6
Molecular Weight268.27 g/mol
Exact Mass268.12
IUPAC Name2-(4,4-difluoropiperidin-1-yl)-N'-methanimidoylpyrimidine-5-carboximidamide
SMILES[H]/N=C/N=C(\N)c1cnc(N2CCC(F)(F)CC2)nc1
InChIInChI=1S/C11H14F2N6/c12-11(13)1-3-19(4-2-11)10-16-5-8(6-17-10)9(15)18-7-14/h5-7H,1-4H2,(H3,14,15,18)
InChIKeyQXELAZNXUDETKF-UHFFFAOYSA-N
XLogP1.02
TPSA91.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 51.02
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-pyrrolidin-1-ylpyrimidine-5-carboximidamide
CID 83877819
2-(3,3-difluoropyrrolidin-1-yl)pyrimidin-5-amine
CID 130704965
2-(4,4-difluoropiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 170573194
5-(4-aminopyrimidin-2-yl)-2-(4,4-difluoropiperidin-1-yl)pyrimidin-4-amine
CID 118468930
ethyl 4-fluoro-1-(5-fluoropyrimidin-2-yl)piperidine-4-carboxylate
CID 135382866
6-(4,4-difluoropiperidin-1-yl)-5-fluoropyridine-3-carbohydrazide
CID 162444317
4-(4,4-difluoropiperidin-1-yl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine
CID 172891083
4-(5-fluoropyrimidin-2-yl)thiomorpholine
CID 119103581
6-(4,4-dimethylpiperidin-1-yl)pyridine-3-carboximidamide
CID 62937761
1-(4,4-difluoropiperidin-1-yl)-2-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]ethanone
CID 171993025
6-(8-azaspiro[4.5]decan-8-yl)pyridine-3-carboximidamide
CID 55166419
5-fluoro-2-pyrrolidin-1-ylpyrimidine
CID 91819592

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-N'-methanimidoylpyrimidine-5-carboximidamide?
The IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-N'-methanimidoylpyrimidine-5-carboximidamide (CID 123233690) is 2-(4,4-difluoropiperidin-1-yl)-N'-methanimidoylpyrimidine-5-carboximidamide.
What is the SMILES notation for 2-(4,4-difluoropiperidin-1-yl)-N'-methanimidoylpyrimidine-5-carboximidamide?
The canonical SMILES for 2-(4,4-difluoropiperidin-1-yl)-N'-methanimidoylpyrimidine-5-carboximidamide is [H]/N=C/N=C(\N)c1cnc(N2CCC(F)(F)CC2)nc1.
What is the InChIKey of 2-(4,4-difluoropiperidin-1-yl)-N'-methanimidoylpyrimidine-5-carboximidamide?
The InChIKey is QXELAZNXUDETKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N6/c12-11(13)1-3-19(4-2-11)10-16-5-8(6-17-10)9(15)18-7-14/h5-7H,1-4H2,(H3,14,15,18).
What are the key properties of 2-(4,4-difluoropiperidin-1-yl)-N'-methanimidoylpyrimidine-5-carboximidamide?
2-(4,4-difluoropiperidin-1-yl)-N'-methanimidoylpyrimidine-5-carboximidamide has a molecular weight of 268.27 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluoropiperidin-1-yl)-N'-methanimidoylpyrimidine-5-carboximidamide is sourced from PubChem (CID 123233690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).