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

C10H16N4O3 — CID 136958532

IUPAC2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-butan-2-ylamino]acetic acid
SMILESCCC(C)N(CC(=O)O)c1nc[nH]c(=O)c1N
InChIInChI=1S/C10H16N4O3/c1-3-6(2)14(4-7(15)16)9-8(11)10(17)13-5-12-9/h5-6H,3-4,11H2,1-2H3,(H,15,16)(H,12,13,17)
InChIKeyOTWZLVIGPFGBGE-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.04
Rot. Bonds5

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

2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-butan-2-ylamino]acetic acid (PubChem CID 136958532) 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)-butan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-butan-2-ylamino]acetic acid
PubChem CID136958532
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-butan-2-ylamino]acetic acid
SMILESCCC(C)N(CC(=O)O)c1nc[nH]c(=O)c1N
InChIInChI=1S/C10H16N4O3/c1-3-6(2)14(4-7(15)16)9-8(11)10(17)13-5-12-9/h5-6H,3-4,11H2,1-2H3,(H,15,16)(H,12,13,17)
InChIKeyOTWZLVIGPFGBGE-UHFFFAOYSA-N
XLogP0.04
TPSA112.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 136959228
2-(9-methyl-6,8-dioxo-7H-purin-1-yl)acetic acid
CID 118436924
2-(6-oxo-7,8-dihydro-1H-purin-9-yl)acetic acid
CID 136441219
2-[(4-amino-6-oxo-1H-pyrimidin-5-yl)amino]acetic acid
CID 136612221
[C-[[4-(ethylamino)-5-(methylamino)-6-oxopyrimidin-1-yl]methyl]-N-methylcarbonimidoyl] acetate
CID 142358029
5-amino-4-[ethyl(2-hydroxyethyl)amino]-1H-pyrimidin-6-one
CID 135568293
2-Amino-8-methyl-4-oxo-3,5,6,7-tetrahydropteridine-6-carboxylic acid
CID 136316965
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-N-ethyl-N-methylpropanamide
CID 136713569
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-[2-(dimethylamino)ethyl]amino]acetic acid
CID 136734034
2-[2-(dimethylamino)ethyl-(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
CID 136734036
5-amino-4-[1-(dimethylamino)propan-2-yl-ethylamino]-1H-pyrimidin-6-one
CID 136800372
5-amino-4-[2-[butan-2-yl(methyl)amino]ethylamino]-1H-pyrimidin-6-one
CID 136870184

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-butan-2-ylamino]acetic acid?
The IUPAC name of 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-butan-2-ylamino]acetic acid (CID 136958532) is 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-butan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-butan-2-ylamino]acetic acid?
The canonical SMILES for 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-butan-2-ylamino]acetic acid is CCC(C)N(CC(=O)O)c1nc[nH]c(=O)c1N.
What is the InChIKey of 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-butan-2-ylamino]acetic acid?
The InChIKey is OTWZLVIGPFGBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-3-6(2)14(4-7(15)16)9-8(11)10(17)13-5-12-9/h5-6H,3-4,11H2,1-2H3,(H,15,16)(H,12,13,17).
What are the key properties of 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-butan-2-ylamino]acetic acid?
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-butan-2-ylamino]acetic acid has a molecular weight of 240.26 g/mol, XLogP of 0.04, 5 rotatable bonds, 3 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)-butan-2-ylamino]acetic acid is sourced from PubChem (CID 136958532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).