N-[5-(ethylideneamino)-2-fluoro-6-methylpyrimidin-4-yl]hexanamide

C13H19FN4O — CID 153401261

IUPACN-[5-(ethylideneamino)-2-fluoro-6-methylpyrimidin-4-yl]hexanamide
SMILESC/C=N/c1c(C)nc(F)nc1NC(=O)CCCCC
InChIInChI=1S/C13H19FN4O/c1-4-6-7-8-10(19)17-12-11(15-5-2)9(3)16-13(14)18-12/h5H,4,6-8H2,1-3H3,(H,16,17,18,19)/b15-5+
InChIKeyDEQVJYFXXNNLAL-PJQLUOCWSA-N
MW266.32 g/mol
LogP3.17
Rot. Bonds6

About N-[5-(ethylideneamino)-2-fluoro-6-methylpyrimidin-4-yl]hexanamide

N-[5-(ethylideneamino)-2-fluoro-6-methylpyrimidin-4-yl]hexanamide (PubChem CID 153401261) has the molecular formula C13H19FN4O and a molecular weight of 266.32 g/mol. Its IUPAC name is N-[5-(ethylideneamino)-2-fluoro-6-methylpyrimidin-4-yl]hexanamide.

Molecular Properties

Compound NameN-[5-(ethylideneamino)-2-fluoro-6-methylpyrimidin-4-yl]hexanamide
PubChem CID153401261
Molecular FormulaC13H19FN4O
Molecular Weight266.32 g/mol
Exact Mass266.15
IUPAC NameN-[5-(ethylideneamino)-2-fluoro-6-methylpyrimidin-4-yl]hexanamide
SMILESC/C=N/c1c(C)nc(F)nc1NC(=O)CCCCC
InChIInChI=1S/C13H19FN4O/c1-4-6-7-8-10(19)17-12-11(15-5-2)9(3)16-13(14)18-12/h5H,4,6-8H2,1-3H3,(H,16,17,18,19)/b15-5+
InChIKeyDEQVJYFXXNNLAL-PJQLUOCWSA-N
XLogP3.17
TPSA67.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-(ethylideneamino)-2-fluoro-6-methylpyrimidin-4-yl]hexanamide?
The IUPAC name of N-[5-(ethylideneamino)-2-fluoro-6-methylpyrimidin-4-yl]hexanamide (CID 153401261) is N-[5-(ethylideneamino)-2-fluoro-6-methylpyrimidin-4-yl]hexanamide.
What is the SMILES notation for N-[5-(ethylideneamino)-2-fluoro-6-methylpyrimidin-4-yl]hexanamide?
The canonical SMILES for N-[5-(ethylideneamino)-2-fluoro-6-methylpyrimidin-4-yl]hexanamide is C/C=N/c1c(C)nc(F)nc1NC(=O)CCCCC.
What is the InChIKey of N-[5-(ethylideneamino)-2-fluoro-6-methylpyrimidin-4-yl]hexanamide?
The InChIKey is DEQVJYFXXNNLAL-PJQLUOCWSA-N. The full InChI is InChI=1S/C13H19FN4O/c1-4-6-7-8-10(19)17-12-11(15-5-2)9(3)16-13(14)18-12/h5H,4,6-8H2,1-3H3,(H,16,17,18,19)/b15-5+.
What are the key properties of N-[5-(ethylideneamino)-2-fluoro-6-methylpyrimidin-4-yl]hexanamide?
N-[5-(ethylideneamino)-2-fluoro-6-methylpyrimidin-4-yl]hexanamide has a molecular weight of 266.32 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(ethylideneamino)-2-fluoro-6-methylpyrimidin-4-yl]hexanamide is sourced from PubChem (CID 153401261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).