2-amino-2-(4,6-dimethyl-2-propan-2-ylpyrimidin-5-yl)acetic acid

C11H17N3O2 — CID 115033881

IUPAC2-amino-2-(4,6-dimethyl-2-propan-2-ylpyrimidin-5-yl)acetic acid
SMILESCc1nc(C(C)C)nc(C)c1C(N)C(=O)O
InChIInChI=1S/C11H17N3O2/c1-5(2)10-13-6(3)8(7(4)14-10)9(12)11(15)16/h5,9H,12H2,1-4H3,(H,15,16)
InChIKeyNAWGFEOPKHAITI-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.30
Rot. Bonds3

About 2-amino-2-(4,6-dimethyl-2-propan-2-ylpyrimidin-5-yl)acetic acid

2-amino-2-(4,6-dimethyl-2-propan-2-ylpyrimidin-5-yl)acetic acid (PubChem CID 115033881) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-amino-2-(4,6-dimethyl-2-propan-2-ylpyrimidin-5-yl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(4,6-dimethyl-2-propan-2-ylpyrimidin-5-yl)acetic acid
PubChem CID115033881
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name2-amino-2-(4,6-dimethyl-2-propan-2-ylpyrimidin-5-yl)acetic acid
SMILESCc1nc(C(C)C)nc(C)c1C(N)C(=O)O
InChIInChI=1S/C11H17N3O2/c1-5(2)10-13-6(3)8(7(4)14-10)9(12)11(15)16/h5,9H,12H2,1-4H3,(H,15,16)
InChIKeyNAWGFEOPKHAITI-UHFFFAOYSA-N
XLogP1.30
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4,6-dimethyl-2-propan-2-ylpyrimidin-5-yl)acetic acid?
The IUPAC name of 2-amino-2-(4,6-dimethyl-2-propan-2-ylpyrimidin-5-yl)acetic acid (CID 115033881) is 2-amino-2-(4,6-dimethyl-2-propan-2-ylpyrimidin-5-yl)acetic acid.
What is the SMILES notation for 2-amino-2-(4,6-dimethyl-2-propan-2-ylpyrimidin-5-yl)acetic acid?
The canonical SMILES for 2-amino-2-(4,6-dimethyl-2-propan-2-ylpyrimidin-5-yl)acetic acid is Cc1nc(C(C)C)nc(C)c1C(N)C(=O)O.
What is the InChIKey of 2-amino-2-(4,6-dimethyl-2-propan-2-ylpyrimidin-5-yl)acetic acid?
The InChIKey is NAWGFEOPKHAITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-5(2)10-13-6(3)8(7(4)14-10)9(12)11(15)16/h5,9H,12H2,1-4H3,(H,15,16).
What are the key properties of 2-amino-2-(4,6-dimethyl-2-propan-2-ylpyrimidin-5-yl)acetic acid?
2-amino-2-(4,6-dimethyl-2-propan-2-ylpyrimidin-5-yl)acetic acid has a molecular weight of 223.28 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4,6-dimethyl-2-propan-2-ylpyrimidin-5-yl)acetic acid is sourced from PubChem (CID 115033881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).