4-[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]butanamide

C11H19N5O — CID 80790850

IUPAC4-[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]butanamide
SMILESCC(C)c1c(N)ncnc1NCCCC(N)=O
InChIInChI=1S/C11H19N5O/c1-7(2)9-10(13)15-6-16-11(9)14-5-3-4-8(12)17/h6-7H,3-5H2,1-2H3,(H2,12,17)(H3,13,14,15,16)
InChIKeyQRCPEUNJORJXTQ-UHFFFAOYSA-N
MW237.31 g/mol
LogP0.86
Rot. Bonds6

About 4-[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]butanamide

4-[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]butanamide (PubChem CID 80790850) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 4-[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]butanamide.

Molecular Properties

Compound Name4-[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]butanamide
PubChem CID80790850
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name4-[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]butanamide
SMILESCC(C)c1c(N)ncnc1NCCCC(N)=O
InChIInChI=1S/C11H19N5O/c1-7(2)9-10(13)15-6-16-11(9)14-5-3-4-8(12)17/h6-7H,3-5H2,1-2H3,(H2,12,17)(H3,13,14,15,16)
InChIKeyQRCPEUNJORJXTQ-UHFFFAOYSA-N
XLogP0.86
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 ≤ 50.86
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 4-[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]butanamide?
The IUPAC name of 4-[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]butanamide (CID 80790850) is 4-[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]butanamide.
What is the SMILES notation for 4-[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]butanamide?
The canonical SMILES for 4-[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]butanamide is CC(C)c1c(N)ncnc1NCCCC(N)=O.
What is the InChIKey of 4-[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]butanamide?
The InChIKey is QRCPEUNJORJXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-7(2)9-10(13)15-6-16-11(9)14-5-3-4-8(12)17/h6-7H,3-5H2,1-2H3,(H2,12,17)(H3,13,14,15,16).
What are the key properties of 4-[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]butanamide?
4-[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]butanamide has a molecular weight of 237.31 g/mol, XLogP of 0.86, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]butanamide is sourced from PubChem (CID 80790850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).