N'-[5-amino-6-(cyclohexylamino)pyrimidin-4-yl]-4-fluorobenzohydrazide

C17H21FN6O — CID 19135857

IUPACN'-[5-amino-6-(cyclohexylamino)pyrimidin-4-yl]-4-fluorobenzohydrazide
SMILESNc1c(NNC(=O)c2ccc(F)cc2)ncnc1NC1CCCCC1
InChIInChI=1S/C17H21FN6O/c18-12-8-6-11(7-9-12)17(25)24-23-16-14(19)15(20-10-21-16)22-13-4-2-1-3-5-13/h6-10,13H,1-5,19H2,(H,24,25)(H2,20,21,22,23)
InChIKeyQCNWPYGLKYNPQI-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.70
Rot. Bonds5

About N'-[5-amino-6-(cyclohexylamino)pyrimidin-4-yl]-4-fluorobenzohydrazide

N'-[5-amino-6-(cyclohexylamino)pyrimidin-4-yl]-4-fluorobenzohydrazide (PubChem CID 19135857) has the molecular formula C17H21FN6O and a molecular weight of 344.39 g/mol. Its IUPAC name is N'-[5-amino-6-(cyclohexylamino)pyrimidin-4-yl]-4-fluorobenzohydrazide.

Molecular Properties

Compound NameN'-[5-amino-6-(cyclohexylamino)pyrimidin-4-yl]-4-fluorobenzohydrazide
PubChem CID19135857
Molecular FormulaC17H21FN6O
Molecular Weight344.39 g/mol
Exact Mass344.18
IUPAC NameN'-[5-amino-6-(cyclohexylamino)pyrimidin-4-yl]-4-fluorobenzohydrazide
SMILESNc1c(NNC(=O)c2ccc(F)cc2)ncnc1NC1CCCCC1
InChIInChI=1S/C17H21FN6O/c18-12-8-6-11(7-9-12)17(25)24-23-16-14(19)15(20-10-21-16)22-13-4-2-1-3-5-13/h6-10,13H,1-5,19H2,(H,24,25)(H2,20,21,22,23)
InChIKeyQCNWPYGLKYNPQI-UHFFFAOYSA-N
XLogP2.70
TPSA104.96 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-[5-amino-6-(cyclopentylamino)pyrimidin-4-yl]-3-chlorobenzohydrazide
CID 19151564
N'-[5-amino-6-(tert-butylamino)pyrimidin-4-yl]-4-fluorobenzohydrazide
CID 22540325
N'-[5-amino-6-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]-4-fluorobenzohydrazide
CID 19140506
N'-[5-amino-6-[2-(4-fluorobenzoyl)hydrazinyl]pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19151134
6-N-cycloheptyl-4-N-cyclopentylpyrimidine-4,5,6-triamine
CID 19153951
N'-[5-amino-6-(2-methoxyethylamino)pyrimidin-4-yl]-4-fluorobenzohydrazide
CID 19150448
N'-[6-(cyclohexylamino)-5-nitropyrimidin-4-yl]-4-nitrobenzohydrazide
CID 23487779
N'-[5-amino-6-(2-methylanilino)pyrimidin-4-yl]-4-fluorobenzohydrazide
CID 19147812
N'-[5-amino-6-(cycloheptylamino)pyrimidin-4-yl]-2-phenoxyacetohydrazide
CID 19152339
4-[[5-amino-6-(cycloheptylamino)pyrimidin-4-yl]amino]benzoic acid
CID 19154101
N'-[5-amino-6-[(4-fluorophenyl)methylamino]pyrimidin-4-yl]-4-methylbenzohydrazide
CID 19150755
N'-[5-amino-6-(1,3-benzodioxol-5-ylamino)pyrimidin-4-yl]-4-fluorobenzohydrazide
CID 22542161

Frequently Asked Questions

What is the IUPAC name of N'-[5-amino-6-(cyclohexylamino)pyrimidin-4-yl]-4-fluorobenzohydrazide?
The IUPAC name of N'-[5-amino-6-(cyclohexylamino)pyrimidin-4-yl]-4-fluorobenzohydrazide (CID 19135857) is N'-[5-amino-6-(cyclohexylamino)pyrimidin-4-yl]-4-fluorobenzohydrazide.
What is the SMILES notation for N'-[5-amino-6-(cyclohexylamino)pyrimidin-4-yl]-4-fluorobenzohydrazide?
The canonical SMILES for N'-[5-amino-6-(cyclohexylamino)pyrimidin-4-yl]-4-fluorobenzohydrazide is Nc1c(NNC(=O)c2ccc(F)cc2)ncnc1NC1CCCCC1.
What is the InChIKey of N'-[5-amino-6-(cyclohexylamino)pyrimidin-4-yl]-4-fluorobenzohydrazide?
The InChIKey is QCNWPYGLKYNPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN6O/c18-12-8-6-11(7-9-12)17(25)24-23-16-14(19)15(20-10-21-16)22-13-4-2-1-3-5-13/h6-10,13H,1-5,19H2,(H,24,25)(H2,20,21,22,23).
What are the key properties of N'-[5-amino-6-(cyclohexylamino)pyrimidin-4-yl]-4-fluorobenzohydrazide?
N'-[5-amino-6-(cyclohexylamino)pyrimidin-4-yl]-4-fluorobenzohydrazide has a molecular weight of 344.39 g/mol, XLogP of 2.70, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-amino-6-(cyclohexylamino)pyrimidin-4-yl]-4-fluorobenzohydrazide is sourced from PubChem (CID 19135857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).