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

C7H10N4O3 — CID 136958424

IUPAC2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid
SMILESCC(Nc1nc[nH]c(=O)c1N)C(=O)O
InChIInChI=1S/C7H10N4O3/c1-3(7(13)14)11-5-4(8)6(12)10-2-9-5/h2-3H,8H2,1H3,(H,13,14)(H2,9,10,11,12)
InChIKeyQYDIVDQLQGUPHY-UHFFFAOYSA-N
MW198.18 g/mol
LogP-0.76
Rot. Bonds3

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

2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid (PubChem CID 136958424) has the molecular formula C7H10N4O3 and a molecular weight of 198.18 g/mol. Its IUPAC name is 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid
PubChem CID136958424
Molecular FormulaC7H10N4O3
Molecular Weight198.18 g/mol
Exact Mass198.08
IUPAC Name2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid
SMILESCC(Nc1nc[nH]c(=O)c1N)C(=O)O
InChIInChI=1S/C7H10N4O3/c1-3(7(13)14)11-5-4(8)6(12)10-2-9-5/h2-3H,8H2,1H3,(H,13,14)(H2,9,10,11,12)
InChIKeyQYDIVDQLQGUPHY-UHFFFAOYSA-N
XLogP-0.76
TPSA121.10 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 5-0.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]propanoate
CID 136974867
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-N-tert-butylpropanamide
CID 137016633
5-amino-4-(1-hydroxypropan-2-ylamino)-1H-pyrimidin-6-one
CID 136973951
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-N-cyclopropylpropanamide
CID 137016632
5-amino-4-(4-hydroxybutan-2-ylamino)-1H-pyrimidin-6-one
CID 136976716
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]pent-4-ynoic acid
CID 136972283
5-amino-4-(pentan-2-ylamino)-1H-pyrimidin-6-one
CID 136973568
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-5-methoxypentanoic acid
CID 136959366
5-amino-4-(1-cyclopentylethylamino)-1H-pyrimidin-6-one
CID 136975856
5-amino-4-(6-methylheptan-2-ylamino)-1H-pyrimidin-6-one
CID 137016260
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-2-ethylbutanoic acid
CID 136959295
5-amino-4-(2-methylpropylamino)-1H-pyrimidin-6-one
CID 136973510

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid?
The IUPAC name of 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid (CID 136958424) is 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid.
What is the SMILES notation for 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid?
The canonical SMILES for 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid is CC(Nc1nc[nH]c(=O)c1N)C(=O)O.
What is the InChIKey of 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid?
The InChIKey is QYDIVDQLQGUPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O3/c1-3(7(13)14)11-5-4(8)6(12)10-2-9-5/h2-3H,8H2,1H3,(H,13,14)(H2,9,10,11,12).
What are the key properties of 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid?
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid has a molecular weight of 198.18 g/mol, XLogP of -0.76, 3 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]propanoic acid is sourced from PubChem (CID 136958424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).