6-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-4-methylhexanoic acid

C11H18N4O3 — CID 136958979

IUPAC6-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-4-methylhexanoic acid
SMILESCC(CCNc1nc[nH]c(=O)c1N)CCC(=O)O
InChIInChI=1S/C11H18N4O3/c1-7(2-3-8(16)17)4-5-13-10-9(12)11(18)15-6-14-10/h6-7H,2-5,12H2,1H3,(H,16,17)(H2,13,14,15,18)
InChIKeyVLFJSFXPDTVYOH-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.65
Rot. Bonds7

About 6-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-4-methylhexanoic acid

6-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-4-methylhexanoic acid (PubChem CID 136958979) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 6-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-4-methylhexanoic acid.

Molecular Properties

Compound Name6-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-4-methylhexanoic acid
PubChem CID136958979
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name6-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-4-methylhexanoic acid
SMILESCC(CCNc1nc[nH]c(=O)c1N)CCC(=O)O
InChIInChI=1S/C11H18N4O3/c1-7(2-3-8(16)17)4-5-13-10-9(12)11(18)15-6-14-10/h6-7H,2-5,12H2,1H3,(H,16,17)(H2,13,14,15,18)
InChIKeyVLFJSFXPDTVYOH-UHFFFAOYSA-N
XLogP0.65
TPSA121.10 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 6-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-4-methylhexanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-4-methylhexanoic acid?
The IUPAC name of 6-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-4-methylhexanoic acid (CID 136958979) is 6-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-4-methylhexanoic acid.
What is the SMILES notation for 6-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-4-methylhexanoic acid?
The canonical SMILES for 6-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-4-methylhexanoic acid is CC(CCNc1nc[nH]c(=O)c1N)CCC(=O)O.
What is the InChIKey of 6-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-4-methylhexanoic acid?
The InChIKey is VLFJSFXPDTVYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-7(2-3-8(16)17)4-5-13-10-9(12)11(18)15-6-14-10/h6-7H,2-5,12H2,1H3,(H,16,17)(H2,13,14,15,18).
What are the key properties of 6-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-4-methylhexanoic acid?
6-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-4-methylhexanoic acid has a molecular weight of 254.29 g/mol, XLogP of 0.65, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-4-methylhexanoic acid is sourced from PubChem (CID 136958979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).