N'-[5-amino-6-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]-4-fluorobenzohydrazide

C18H23FN6O — CID 19140506

IUPACN'-[5-amino-6-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]-4-fluorobenzohydrazide
SMILESCCC1CCCCN1c1ncnc(NNC(=O)c2ccc(F)cc2)c1N
InChIInChI=1S/C18H23FN6O/c1-2-14-5-3-4-10-25(14)17-15(20)16(21-11-22-17)23-24-18(26)12-6-8-13(19)9-7-12/h6-9,11,14H,2-5,10,20H2,1H3,(H,24,26)(H,21,22,23)
InChIKeyMNASXGNGPFFVIX-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.72
Rot. Bonds5

About N'-[5-amino-6-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]-4-fluorobenzohydrazide

N'-[5-amino-6-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]-4-fluorobenzohydrazide (PubChem CID 19140506) has the molecular formula C18H23FN6O and a molecular weight of 358.42 g/mol. Its IUPAC name is N'-[5-amino-6-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]-4-fluorobenzohydrazide.

Molecular Properties

Compound NameN'-[5-amino-6-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]-4-fluorobenzohydrazide
PubChem CID19140506
Molecular FormulaC18H23FN6O
Molecular Weight358.42 g/mol
Exact Mass358.19
IUPAC NameN'-[5-amino-6-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]-4-fluorobenzohydrazide
SMILESCCC1CCCCN1c1ncnc(NNC(=O)c2ccc(F)cc2)c1N
InChIInChI=1S/C18H23FN6O/c1-2-14-5-3-4-10-25(14)17-15(20)16(21-11-22-17)23-24-18(26)12-6-8-13(19)9-7-12/h6-9,11,14H,2-5,10,20H2,1H3,(H,24,26)(H,21,22,23)
InChIKeyMNASXGNGPFFVIX-UHFFFAOYSA-N
XLogP2.72
TPSA96.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[5-amino-6-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]-4-fluorobenzohydrazide?
The IUPAC name of N'-[5-amino-6-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]-4-fluorobenzohydrazide (CID 19140506) is N'-[5-amino-6-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]-4-fluorobenzohydrazide.
What is the SMILES notation for N'-[5-amino-6-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]-4-fluorobenzohydrazide?
The canonical SMILES for N'-[5-amino-6-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]-4-fluorobenzohydrazide is CCC1CCCCN1c1ncnc(NNC(=O)c2ccc(F)cc2)c1N.
What is the InChIKey of N'-[5-amino-6-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]-4-fluorobenzohydrazide?
The InChIKey is MNASXGNGPFFVIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN6O/c1-2-14-5-3-4-10-25(14)17-15(20)16(21-11-22-17)23-24-18(26)12-6-8-13(19)9-7-12/h6-9,11,14H,2-5,10,20H2,1H3,(H,24,26)(H,21,22,23).
What are the key properties of N'-[5-amino-6-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]-4-fluorobenzohydrazide?
N'-[5-amino-6-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]-4-fluorobenzohydrazide has a molecular weight of 358.42 g/mol, XLogP of 2.72, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-amino-6-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]-4-fluorobenzohydrazide is sourced from PubChem (CID 19140506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).