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

C10H16N4O3 — CID 136958721

IUPAC4-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-4-methylpentanoic acid
SMILESCC(C)(CCC(=O)O)Nc1nc[nH]c(=O)c1N
InChIInChI=1S/C10H16N4O3/c1-10(2,4-3-6(15)16)14-8-7(11)9(17)13-5-12-8/h5H,3-4,11H2,1-2H3,(H,15,16)(H2,12,13,14,17)
InChIKeyHKKGFYXOLPRPTG-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.41
Rot. Bonds5

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

4-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-4-methylpentanoic acid (PubChem CID 136958721) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 4-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name4-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-4-methylpentanoic acid
PubChem CID136958721
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name4-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-4-methylpentanoic acid
SMILESCC(C)(CCC(=O)O)Nc1nc[nH]c(=O)c1N
InChIInChI=1S/C10H16N4O3/c1-10(2,4-3-6(15)16)14-8-7(11)9(17)13-5-12-8/h5H,3-4,11H2,1-2H3,(H,15,16)(H2,12,13,14,17)
InChIKeyHKKGFYXOLPRPTG-UHFFFAOYSA-N
XLogP0.41
TPSA121.10 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]methyl]-4,4-dimethylpentanoic acid
CID 136858001
6-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid
CID 136958356
4-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid
CID 136958376
4-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-methylamino]butanoic acid
CID 136958395
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpentanoic acid
CID 136958465
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid
CID 136958470
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-4-methylpentanoic acid
CID 136958680
4-methyl-4-[(6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid
CID 136958722
4-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid
CID 136958942
6-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-4-methylhexanoic acid
CID 136958979
6-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-4-ethylhexanoic acid
CID 136958985
4-[2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]-5-methylhexanoic acid
CID 136958995

Frequently Asked Questions

What is the IUPAC name of 4-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-4-methylpentanoic acid?
The IUPAC name of 4-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-4-methylpentanoic acid (CID 136958721) is 4-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-4-methylpentanoic acid.
What is the SMILES notation for 4-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-4-methylpentanoic acid?
The canonical SMILES for 4-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-4-methylpentanoic acid is CC(C)(CCC(=O)O)Nc1nc[nH]c(=O)c1N.
What is the InChIKey of 4-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-4-methylpentanoic acid?
The InChIKey is HKKGFYXOLPRPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-10(2,4-3-6(15)16)14-8-7(11)9(17)13-5-12-8/h5H,3-4,11H2,1-2H3,(H,15,16)(H2,12,13,14,17).
What are the key properties of 4-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-4-methylpentanoic acid?
4-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-4-methylpentanoic acid has a molecular weight of 240.26 g/mol, XLogP of 0.41, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 136958721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).