N-[2-fluoro-6-methyl-5-(2-methylbutylideneamino)pyrimidin-4-yl]butanamide

C14H21FN4O — CID 146369252

IUPACN-[2-fluoro-6-methyl-5-(2-methylbutylideneamino)pyrimidin-4-yl]butanamide
SMILESCCCC(=O)Nc1nc(F)nc(C)c1/N=C/C(C)CC
InChIInChI=1S/C14H21FN4O/c1-5-7-11(20)18-13-12(16-8-9(3)6-2)10(4)17-14(15)19-13/h8-9H,5-7H2,1-4H3,(H,17,18,19,20)/b16-8+
InChIKeyIXXXDJSJTLRAIH-LZYBPNLTSA-N
MW280.35 g/mol
LogP3.41
Rot. Bonds6

About N-[2-fluoro-6-methyl-5-(2-methylbutylideneamino)pyrimidin-4-yl]butanamide

N-[2-fluoro-6-methyl-5-(2-methylbutylideneamino)pyrimidin-4-yl]butanamide (PubChem CID 146369252) has the molecular formula C14H21FN4O and a molecular weight of 280.35 g/mol. Its IUPAC name is N-[2-fluoro-6-methyl-5-(2-methylbutylideneamino)pyrimidin-4-yl]butanamide.

Molecular Properties

Compound NameN-[2-fluoro-6-methyl-5-(2-methylbutylideneamino)pyrimidin-4-yl]butanamide
PubChem CID146369252
Molecular FormulaC14H21FN4O
Molecular Weight280.35 g/mol
Exact Mass280.17
IUPAC NameN-[2-fluoro-6-methyl-5-(2-methylbutylideneamino)pyrimidin-4-yl]butanamide
SMILESCCCC(=O)Nc1nc(F)nc(C)c1/N=C/C(C)CC
InChIInChI=1S/C14H21FN4O/c1-5-7-11(20)18-13-12(16-8-9(3)6-2)10(4)17-14(15)19-13/h8-9H,5-7H2,1-4H3,(H,17,18,19,20)/b16-8+
InChIKeyIXXXDJSJTLRAIH-LZYBPNLTSA-N
XLogP3.41
TPSA67.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-6-methyl-5-(2-methylbutylideneamino)pyrimidin-4-yl]butanamide?
The IUPAC name of N-[2-fluoro-6-methyl-5-(2-methylbutylideneamino)pyrimidin-4-yl]butanamide (CID 146369252) is N-[2-fluoro-6-methyl-5-(2-methylbutylideneamino)pyrimidin-4-yl]butanamide.
What is the SMILES notation for N-[2-fluoro-6-methyl-5-(2-methylbutylideneamino)pyrimidin-4-yl]butanamide?
The canonical SMILES for N-[2-fluoro-6-methyl-5-(2-methylbutylideneamino)pyrimidin-4-yl]butanamide is CCCC(=O)Nc1nc(F)nc(C)c1/N=C/C(C)CC.
What is the InChIKey of N-[2-fluoro-6-methyl-5-(2-methylbutylideneamino)pyrimidin-4-yl]butanamide?
The InChIKey is IXXXDJSJTLRAIH-LZYBPNLTSA-N. The full InChI is InChI=1S/C14H21FN4O/c1-5-7-11(20)18-13-12(16-8-9(3)6-2)10(4)17-14(15)19-13/h8-9H,5-7H2,1-4H3,(H,17,18,19,20)/b16-8+.
What are the key properties of N-[2-fluoro-6-methyl-5-(2-methylbutylideneamino)pyrimidin-4-yl]butanamide?
N-[2-fluoro-6-methyl-5-(2-methylbutylideneamino)pyrimidin-4-yl]butanamide has a molecular weight of 280.35 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-6-methyl-5-(2-methylbutylideneamino)pyrimidin-4-yl]butanamide is sourced from PubChem (CID 146369252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).