5-[(5-fluoro-6-methylpyrimidin-4-yl)amino]pentanamide

C10H15FN4O — CID 106238678

IUPAC5-[(5-fluoro-6-methylpyrimidin-4-yl)amino]pentanamide
SMILESCc1ncnc(NCCCCC(N)=O)c1F
InChIInChI=1S/C10H15FN4O/c1-7-9(11)10(15-6-14-7)13-5-3-2-4-8(12)16/h6H,2-5H2,1H3,(H2,12,16)(H,13,14,15)
InChIKeyAIFCKHDTQWUHAM-UHFFFAOYSA-N
MW226.25 g/mol
LogP0.99
Rot. Bonds6

About 5-[(5-fluoro-6-methylpyrimidin-4-yl)amino]pentanamide

5-[(5-fluoro-6-methylpyrimidin-4-yl)amino]pentanamide (PubChem CID 106238678) has the molecular formula C10H15FN4O and a molecular weight of 226.25 g/mol. Its IUPAC name is 5-[(5-fluoro-6-methylpyrimidin-4-yl)amino]pentanamide.

Molecular Properties

Compound Name5-[(5-fluoro-6-methylpyrimidin-4-yl)amino]pentanamide
PubChem CID106238678
Molecular FormulaC10H15FN4O
Molecular Weight226.25 g/mol
Exact Mass226.12
IUPAC Name5-[(5-fluoro-6-methylpyrimidin-4-yl)amino]pentanamide
SMILESCc1ncnc(NCCCCC(N)=O)c1F
InChIInChI=1S/C10H15FN4O/c1-7-9(11)10(15-6-14-7)13-5-3-2-4-8(12)16/h6H,2-5H2,1H3,(H2,12,16)(H,13,14,15)
InChIKeyAIFCKHDTQWUHAM-UHFFFAOYSA-N
XLogP0.99
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-6-methyl-N-(6-methylsulfanylhexyl)pyrimidin-4-amine
CID 113413399
4-[(5-fluoro-6-methylpyrimidin-4-yl)amino]butan-2-ol
CID 103669518
N-(5-chloro-4-methylpentyl)-5-fluoro-6-methylpyrimidin-4-amine
CID 106154753
5-[(5-bromopyrimidin-4-yl)amino]pentanamide
CID 103915031
4-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]butanamide
CID 66326842
3-[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]propanamide
CID 80787743
5-[[3,5-difluoro-6-(propylamino)-2-pyridinyl]amino]pentanamide
CID 106241585
5-[[6-(ethylamino)-3,5-difluoro-2-pyridinyl]amino]pentanamide
CID 106241605
5-[(5,6-dimethylpyrazin-2-yl)amino]pentanamide
CID 106238601
4-[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]butanamide
CID 80790850
5-[(2-hydrazinyl-5-methylpyrimidin-4-yl)amino]pentanamide
CID 106241936
4-[[5-nitro-6-(propylamino)pyrimidin-4-yl]amino]butanamide
CID 80791731

Frequently Asked Questions

What is the IUPAC name of 5-[(5-fluoro-6-methylpyrimidin-4-yl)amino]pentanamide?
The IUPAC name of 5-[(5-fluoro-6-methylpyrimidin-4-yl)amino]pentanamide (CID 106238678) is 5-[(5-fluoro-6-methylpyrimidin-4-yl)amino]pentanamide.
What is the SMILES notation for 5-[(5-fluoro-6-methylpyrimidin-4-yl)amino]pentanamide?
The canonical SMILES for 5-[(5-fluoro-6-methylpyrimidin-4-yl)amino]pentanamide is Cc1ncnc(NCCCCC(N)=O)c1F.
What is the InChIKey of 5-[(5-fluoro-6-methylpyrimidin-4-yl)amino]pentanamide?
The InChIKey is AIFCKHDTQWUHAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN4O/c1-7-9(11)10(15-6-14-7)13-5-3-2-4-8(12)16/h6H,2-5H2,1H3,(H2,12,16)(H,13,14,15).
What are the key properties of 5-[(5-fluoro-6-methylpyrimidin-4-yl)amino]pentanamide?
5-[(5-fluoro-6-methylpyrimidin-4-yl)amino]pentanamide has a molecular weight of 226.25 g/mol, XLogP of 0.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-fluoro-6-methylpyrimidin-4-yl)amino]pentanamide is sourced from PubChem (CID 106238678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).