N'-amino-6-[(2-fluorophenyl)methyl]-5-(propan-2-ylamino)pyrazine-2-carboximidamide

C15H19FN6 — CID 134313526

IUPACN'-amino-6-[(2-fluorophenyl)methyl]-5-(propan-2-ylamino)pyrazine-2-carboximidamide
SMILESCC(C)Nc1ncc(/C(N)=N/N)nc1Cc1ccccc1F
InChIInChI=1S/C15H19FN6/c1-9(2)20-15-12(7-10-5-3-4-6-11(10)16)21-13(8-19-15)14(17)22-18/h3-6,8-9H,7,18H2,1-2H3,(H2,17,22)(H,19,20)
InChIKeyKBUKSQJSGVRAEC-UHFFFAOYSA-N
MW302.36 g/mol
LogP1.61
Rot. Bonds5

About N'-amino-6-[(2-fluorophenyl)methyl]-5-(propan-2-ylamino)pyrazine-2-carboximidamide

N'-amino-6-[(2-fluorophenyl)methyl]-5-(propan-2-ylamino)pyrazine-2-carboximidamide (PubChem CID 134313526) has the molecular formula C15H19FN6 and a molecular weight of 302.36 g/mol. Its IUPAC name is N'-amino-6-[(2-fluorophenyl)methyl]-5-(propan-2-ylamino)pyrazine-2-carboximidamide.

Molecular Properties

Compound NameN'-amino-6-[(2-fluorophenyl)methyl]-5-(propan-2-ylamino)pyrazine-2-carboximidamide
PubChem CID134313526
Molecular FormulaC15H19FN6
Molecular Weight302.36 g/mol
Exact Mass302.17
IUPAC NameN'-amino-6-[(2-fluorophenyl)methyl]-5-(propan-2-ylamino)pyrazine-2-carboximidamide
SMILESCC(C)Nc1ncc(/C(N)=N/N)nc1Cc1ccccc1F
InChIInChI=1S/C15H19FN6/c1-9(2)20-15-12(7-10-5-3-4-6-11(10)16)21-13(8-19-15)14(17)22-18/h3-6,8-9H,7,18H2,1-2H3,(H2,17,22)(H,19,20)
InChIKeyKBUKSQJSGVRAEC-UHFFFAOYSA-N
XLogP1.61
TPSA102.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-amino-8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazine-6-carboximidamide
CID 154003447
ethyl 2-[(3-benzyl-5-phenylpyrazin-2-yl)amino]-3-(2-fluorophenyl)propanoate
CID 135364839
N'-amino-1-[(2-fluorophenyl)methyl]-5-methoxypyrazole-3-carboximidamide
CID 154338549
(1S)-1-[2-[(2-fluorophenyl)methyl]-4-methylpyrimidin-5-yl]ethanol
CID 103431425
3-fluoro-N-propan-2-ylpyridin-2-amine
CID 62733783
2-[[3-[(2-fluorophenyl)methyl]-5-phenylpyrazin-2-yl]amino]-3-(3-methoxyphenyl)propanoic acid
CID 135364505
N-[1-(2-fluorophenyl)propan-2-yl]-3,6-dimethylpyrazin-2-amine
CID 133468439
4-(methylaminomethyl)-N-propan-2-ylisoquinolin-1-amine
CID 106776781
[4-ethyl-2-[(2-fluorophenyl)methyl]pyrimidin-5-yl]methanamine
CID 114206046
4-(2-fluorophenyl)-3-(methylamino)butan-2-one
CID 76637468
2-amino-3-(2-fluorophenyl)-N-methylpropanamide
CID 116850583
2-amino-1-[(2-fluorophenyl)methyl]-1-methylguanidine
CID 77053904

Frequently Asked Questions

What is the IUPAC name of N'-amino-6-[(2-fluorophenyl)methyl]-5-(propan-2-ylamino)pyrazine-2-carboximidamide?
The IUPAC name of N'-amino-6-[(2-fluorophenyl)methyl]-5-(propan-2-ylamino)pyrazine-2-carboximidamide (CID 134313526) is N'-amino-6-[(2-fluorophenyl)methyl]-5-(propan-2-ylamino)pyrazine-2-carboximidamide.
What is the SMILES notation for N'-amino-6-[(2-fluorophenyl)methyl]-5-(propan-2-ylamino)pyrazine-2-carboximidamide?
The canonical SMILES for N'-amino-6-[(2-fluorophenyl)methyl]-5-(propan-2-ylamino)pyrazine-2-carboximidamide is CC(C)Nc1ncc(/C(N)=N/N)nc1Cc1ccccc1F.
What is the InChIKey of N'-amino-6-[(2-fluorophenyl)methyl]-5-(propan-2-ylamino)pyrazine-2-carboximidamide?
The InChIKey is KBUKSQJSGVRAEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN6/c1-9(2)20-15-12(7-10-5-3-4-6-11(10)16)21-13(8-19-15)14(17)22-18/h3-6,8-9H,7,18H2,1-2H3,(H2,17,22)(H,19,20).
What are the key properties of N'-amino-6-[(2-fluorophenyl)methyl]-5-(propan-2-ylamino)pyrazine-2-carboximidamide?
N'-amino-6-[(2-fluorophenyl)methyl]-5-(propan-2-ylamino)pyrazine-2-carboximidamide has a molecular weight of 302.36 g/mol, XLogP of 1.61, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-6-[(2-fluorophenyl)methyl]-5-(propan-2-ylamino)pyrazine-2-carboximidamide is sourced from PubChem (CID 134313526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).