2-(4-amino-6-tert-butyl-2-oxo-1H-pyrimidin-5-yl)acetic acid

C10H15N3O3 — CID 84689702

IUPAC2-(4-amino-6-tert-butyl-2-oxo-1H-pyrimidin-5-yl)acetic acid
SMILESCC(C)(C)c1[nH]c(=O)nc(N)c1CC(=O)O
InChIInChI=1S/C10H15N3O3/c1-10(2,3)7-5(4-6(14)15)8(11)13-9(16)12-7/h4H2,1-3H3,(H,14,15)(H3,11,12,13,16)
InChIKeyXYZNVNSYNHUSCR-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.28
Rot. Bonds2

About 2-(4-amino-6-tert-butyl-2-oxo-1H-pyrimidin-5-yl)acetic acid

2-(4-amino-6-tert-butyl-2-oxo-1H-pyrimidin-5-yl)acetic acid (PubChem CID 84689702) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-(4-amino-6-tert-butyl-2-oxo-1H-pyrimidin-5-yl)acetic acid.

Molecular Properties

Compound Name2-(4-amino-6-tert-butyl-2-oxo-1H-pyrimidin-5-yl)acetic acid
PubChem CID84689702
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name2-(4-amino-6-tert-butyl-2-oxo-1H-pyrimidin-5-yl)acetic acid
SMILESCC(C)(C)c1[nH]c(=O)nc(N)c1CC(=O)O
InChIInChI=1S/C10H15N3O3/c1-10(2,3)7-5(4-6(14)15)8(11)13-9(16)12-7/h4H2,1-3H3,(H,14,15)(H3,11,12,13,16)
InChIKeyXYZNVNSYNHUSCR-UHFFFAOYSA-N
XLogP0.28
TPSA109.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-(4-amino-6-tert-butyl-2-oxo-1H-pyrimidin-5-yl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-amino-2-oxo-1H-pyrimidin-6-yl)-3-methylbutanoic acid
CID 83857356
2-(4-amino-6-methyl-2-oxo-1H-pyrimidin-5-yl)acetic acid
CID 84658880
2-(4-amino-6-ethyl-2-oxo-1H-pyrimidin-5-yl)acetic acid
CID 84667440
2-(4-amino-6-cyclopropyl-2-oxo-1H-pyrimidin-5-yl)acetic acid
CID 84676616
2-(4-amino-2-oxo-6-propan-2-yl-1H-pyrimidin-5-yl)acetic acid
CID 84678268
2-(4-amino-6-ethyl-2-sulfanylidene-1H-pyrimidin-5-yl)acetic acid
CID 84679769
2-(4-amino-6-cyclobutyl-2-oxo-1H-pyrimidin-5-yl)acetic acid
CID 84688200
2-(4-amino-6-propan-2-yl-2-sulfanylidene-1H-pyrimidin-5-yl)acetic acid
CID 84691278

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-6-tert-butyl-2-oxo-1H-pyrimidin-5-yl)acetic acid?
The IUPAC name of 2-(4-amino-6-tert-butyl-2-oxo-1H-pyrimidin-5-yl)acetic acid (CID 84689702) is 2-(4-amino-6-tert-butyl-2-oxo-1H-pyrimidin-5-yl)acetic acid.
What is the SMILES notation for 2-(4-amino-6-tert-butyl-2-oxo-1H-pyrimidin-5-yl)acetic acid?
The canonical SMILES for 2-(4-amino-6-tert-butyl-2-oxo-1H-pyrimidin-5-yl)acetic acid is CC(C)(C)c1[nH]c(=O)nc(N)c1CC(=O)O.
What is the InChIKey of 2-(4-amino-6-tert-butyl-2-oxo-1H-pyrimidin-5-yl)acetic acid?
The InChIKey is XYZNVNSYNHUSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-10(2,3)7-5(4-6(14)15)8(11)13-9(16)12-7/h4H2,1-3H3,(H,14,15)(H3,11,12,13,16).
What are the key properties of 2-(4-amino-6-tert-butyl-2-oxo-1H-pyrimidin-5-yl)acetic acid?
2-(4-amino-6-tert-butyl-2-oxo-1H-pyrimidin-5-yl)acetic acid has a molecular weight of 225.25 g/mol, XLogP of 0.28, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-6-tert-butyl-2-oxo-1H-pyrimidin-5-yl)acetic acid is sourced from PubChem (CID 84689702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).