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

C11H15N3O3 — CID 136889966

IUPAC2-[4-amino-2-(2,2-dimethylcyclopropyl)-6-oxo-1H-pyrimidin-5-yl]acetic acid
SMILESCC1(C)CC1c1nc(N)c(CC(=O)O)c(=O)[nH]1
InChIInChI=1S/C11H15N3O3/c1-11(2)4-6(11)9-13-8(12)5(3-7(15)16)10(17)14-9/h6H,3-4H2,1-2H3,(H,15,16)(H3,12,13,14,17)
InChIKeyCWLLIZYZGOSOJE-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.49
Rot. Bonds3

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

2-[4-amino-2-(2,2-dimethylcyclopropyl)-6-oxo-1H-pyrimidin-5-yl]acetic acid (PubChem CID 136889966) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-[4-amino-2-(2,2-dimethylcyclopropyl)-6-oxo-1H-pyrimidin-5-yl]acetic acid.

Molecular Properties

Compound Name2-[4-amino-2-(2,2-dimethylcyclopropyl)-6-oxo-1H-pyrimidin-5-yl]acetic acid
PubChem CID136889966
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name2-[4-amino-2-(2,2-dimethylcyclopropyl)-6-oxo-1H-pyrimidin-5-yl]acetic acid
SMILESCC1(C)CC1c1nc(N)c(CC(=O)O)c(=O)[nH]1
InChIInChI=1S/C11H15N3O3/c1-11(2)4-6(11)9-13-8(12)5(3-7(15)16)10(17)14-9/h6H,3-4H2,1-2H3,(H,15,16)(H3,12,13,14,17)
InChIKeyCWLLIZYZGOSOJE-UHFFFAOYSA-N
XLogP0.49
TPSA109.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[4-amino-2-(2,2-dimethylcyclopropyl)-6-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

Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-2-(2,2-dimethylcyclopropyl)-6-oxo-1H-pyrimidin-5-yl]acetic acid?
The IUPAC name of 2-[4-amino-2-(2,2-dimethylcyclopropyl)-6-oxo-1H-pyrimidin-5-yl]acetic acid (CID 136889966) is 2-[4-amino-2-(2,2-dimethylcyclopropyl)-6-oxo-1H-pyrimidin-5-yl]acetic acid.
What is the SMILES notation for 2-[4-amino-2-(2,2-dimethylcyclopropyl)-6-oxo-1H-pyrimidin-5-yl]acetic acid?
The canonical SMILES for 2-[4-amino-2-(2,2-dimethylcyclopropyl)-6-oxo-1H-pyrimidin-5-yl]acetic acid is CC1(C)CC1c1nc(N)c(CC(=O)O)c(=O)[nH]1.
What is the InChIKey of 2-[4-amino-2-(2,2-dimethylcyclopropyl)-6-oxo-1H-pyrimidin-5-yl]acetic acid?
The InChIKey is CWLLIZYZGOSOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-11(2)4-6(11)9-13-8(12)5(3-7(15)16)10(17)14-9/h6H,3-4H2,1-2H3,(H,15,16)(H3,12,13,14,17).
What are the key properties of 2-[4-amino-2-(2,2-dimethylcyclopropyl)-6-oxo-1H-pyrimidin-5-yl]acetic acid?
2-[4-amino-2-(2,2-dimethylcyclopropyl)-6-oxo-1H-pyrimidin-5-yl]acetic acid has a molecular weight of 237.26 g/mol, XLogP of 0.49, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-2-(2,2-dimethylcyclopropyl)-6-oxo-1H-pyrimidin-5-yl]acetic acid is sourced from PubChem (CID 136889966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).