5-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]pentanamide

C11H19N5O — CID 106241669

IUPAC5-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]pentanamide
SMILESCc1nc(N)c(C)c(NCCCCC(N)=O)n1
InChIInChI=1S/C11H19N5O/c1-7-10(13)15-8(2)16-11(7)14-6-4-3-5-9(12)17/h3-6H2,1-2H3,(H2,12,17)(H3,13,14,15,16)
InChIKeyCNIGXJXQNGSJJG-UHFFFAOYSA-N
MW237.31 g/mol
LogP0.74
Rot. Bonds6

About 5-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]pentanamide

5-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]pentanamide (PubChem CID 106241669) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 5-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]pentanamide.

Molecular Properties

Compound Name5-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]pentanamide
PubChem CID106241669
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name5-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]pentanamide
SMILESCc1nc(N)c(C)c(NCCCCC(N)=O)n1
InChIInChI=1S/C11H19N5O/c1-7-10(13)15-8(2)16-11(7)14-6-4-3-5-9(12)17/h3-6H2,1-2H3,(H2,12,17)(H3,13,14,15,16)
InChIKeyCNIGXJXQNGSJJG-UHFFFAOYSA-N
XLogP0.74
TPSA106.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]pentanamide?
The IUPAC name of 5-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]pentanamide (CID 106241669) is 5-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]pentanamide.
What is the SMILES notation for 5-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]pentanamide?
The canonical SMILES for 5-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]pentanamide is Cc1nc(N)c(C)c(NCCCCC(N)=O)n1.
What is the InChIKey of 5-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]pentanamide?
The InChIKey is CNIGXJXQNGSJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-7-10(13)15-8(2)16-11(7)14-6-4-3-5-9(12)17/h3-6H2,1-2H3,(H2,12,17)(H3,13,14,15,16).
What are the key properties of 5-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]pentanamide?
5-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]pentanamide has a molecular weight of 237.31 g/mol, XLogP of 0.74, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]pentanamide is sourced from PubChem (CID 106241669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).