2-(4-amino-2-oxo-1H-pyrimidin-6-yl)-2-methylpropanoic acid

C8H11N3O3 — CID 83857330

IUPAC2-(4-amino-2-oxo-1H-pyrimidin-6-yl)-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)c1cc(N)nc(=O)[nH]1
InChIInChI=1S/C8H11N3O3/c1-8(2,6(12)13)4-3-5(9)11-7(14)10-4/h3H,1-2H3,(H,12,13)(H3,9,10,11,14)
InChIKeyNHPGIUPNODEYCT-UHFFFAOYSA-N
MW197.19 g/mol
LogP-0.29
Rot. Bonds2

About 2-(4-amino-2-oxo-1H-pyrimidin-6-yl)-2-methylpropanoic acid

2-(4-amino-2-oxo-1H-pyrimidin-6-yl)-2-methylpropanoic acid (PubChem CID 83857330) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is 2-(4-amino-2-oxo-1H-pyrimidin-6-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(4-amino-2-oxo-1H-pyrimidin-6-yl)-2-methylpropanoic acid
PubChem CID83857330
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Name2-(4-amino-2-oxo-1H-pyrimidin-6-yl)-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)c1cc(N)nc(=O)[nH]1
InChIInChI=1S/C8H11N3O3/c1-8(2,6(12)13)4-3-5(9)11-7(14)10-4/h3H,1-2H3,(H,12,13)(H3,9,10,11,14)
InChIKeyNHPGIUPNODEYCT-UHFFFAOYSA-N
XLogP-0.29
TPSA109.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-Tert-butyl-2-hydroxy-pyrimidine-4-carboxylic acid
CID 25801801
2-[4-(dimethylamino)-2-oxo-1H-pyrimidin-6-yl]acetic acid
CID 82399133
2-(4-amino-2-oxo-1H-pyrimidin-6-yl)acetic acid
CID 83851818
2-(4-ethyl-2-oxo-1H-pyrimidin-6-yl)acetic acid
CID 83851905
2-(4-tert-butyl-2-oxo-1H-pyrimidin-6-yl)acetic acid
CID 83852235
2-(4-amino-2-oxo-1H-pyrimidin-6-yl)propanoic acid
CID 83857327
2-(4-amino-2-oxo-1H-pyrimidin-6-yl)butanoic acid
CID 83857328
1-(4-amino-2-oxo-1H-pyrimidin-6-yl)cyclopropane-1-carboxylic acid
CID 83857331
2-(4-amino-2-oxo-1H-pyrimidin-6-yl)-3-methylbutanoic acid
CID 83857335
3-(4-amino-2-oxo-1H-pyrimidin-6-yl)-3-methylbutanoic acid
CID 83857356
2-[4-(methylamino)-2-oxo-1H-pyrimidin-6-yl]acetic acid
CID 83864227
2-[4-(diethylamino)-2-oxo-1H-pyrimidin-6-yl]acetic acid
CID 83864294

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-oxo-1H-pyrimidin-6-yl)-2-methylpropanoic acid?
The IUPAC name of 2-(4-amino-2-oxo-1H-pyrimidin-6-yl)-2-methylpropanoic acid (CID 83857330) is 2-(4-amino-2-oxo-1H-pyrimidin-6-yl)-2-methylpropanoic acid.
What is the SMILES notation for 2-(4-amino-2-oxo-1H-pyrimidin-6-yl)-2-methylpropanoic acid?
The canonical SMILES for 2-(4-amino-2-oxo-1H-pyrimidin-6-yl)-2-methylpropanoic acid is CC(C)(C(=O)O)c1cc(N)nc(=O)[nH]1.
What is the InChIKey of 2-(4-amino-2-oxo-1H-pyrimidin-6-yl)-2-methylpropanoic acid?
The InChIKey is NHPGIUPNODEYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c1-8(2,6(12)13)4-3-5(9)11-7(14)10-4/h3H,1-2H3,(H,12,13)(H3,9,10,11,14).
What are the key properties of 2-(4-amino-2-oxo-1H-pyrimidin-6-yl)-2-methylpropanoic acid?
2-(4-amino-2-oxo-1H-pyrimidin-6-yl)-2-methylpropanoic acid has a molecular weight of 197.19 g/mol, XLogP of -0.29, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-oxo-1H-pyrimidin-6-yl)-2-methylpropanoic acid is sourced from PubChem (CID 83857330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).