2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpentanoic acid

C10H16N4O3 — CID 136958465

IUPAC2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpentanoic acid
SMILESCCCC(C)(Nc1nc[nH]c(=O)c1N)C(=O)O
InChIInChI=1S/C10H16N4O3/c1-3-4-10(2,9(16)17)14-7-6(11)8(15)13-5-12-7/h5H,3-4,11H2,1-2H3,(H,16,17)(H2,12,13,14,15)
InChIKeyQWPCSMOFDADQID-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.41
Rot. Bonds5

About 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpentanoic acid

2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpentanoic acid (PubChem CID 136958465) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpentanoic acid.

Molecular Properties

Compound Name2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpentanoic acid
PubChem CID136958465
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpentanoic acid
SMILESCCCC(C)(Nc1nc[nH]c(=O)c1N)C(=O)O
InChIInChI=1S/C10H16N4O3/c1-3-4-10(2,9(16)17)14-7-6(11)8(15)13-5-12-7/h5H,3-4,11H2,1-2H3,(H,16,17)(H2,12,13,14,15)
InChIKeyQWPCSMOFDADQID-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

(2S)-2-[(4-amino-1-methyl-5-nitroso-6-oxopyrimidin-2-yl)amino]-4-methylpentanoic acid
CID 91341118
2-[[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]methyl]-4,4-dimethylpentanoic acid
CID 136858001
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid
CID 136958431
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid
CID 136958438
2-methyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid
CID 136958466
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid
CID 136958470
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpropanoic acid
CID 136958598
1-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid
CID 136958605
1-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]cycloheptane-1-carboxylic acid
CID 136958615
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanoic acid
CID 136958669
methyl 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-4-methylpentanoate
CID 136958676
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-4-methylpentanoic acid
CID 136958680

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpentanoic acid?
The IUPAC name of 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpentanoic acid (CID 136958465) is 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpentanoic acid.
What is the SMILES notation for 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpentanoic acid?
The canonical SMILES for 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpentanoic acid is CCCC(C)(Nc1nc[nH]c(=O)c1N)C(=O)O.
What is the InChIKey of 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpentanoic acid?
The InChIKey is QWPCSMOFDADQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-3-4-10(2,9(16)17)14-7-6(11)8(15)13-5-12-7/h5H,3-4,11H2,1-2H3,(H,16,17)(H2,12,13,14,15).
What are the key properties of 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpentanoic acid?
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-2-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 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpentanoic acid is sourced from PubChem (CID 136958465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).