2-amino-2-(2-methyl-4-propan-2-yloxypyrimidin-5-yl)acetic acid

C10H15N3O3 — CID 83892143

IUPAC2-amino-2-(2-methyl-4-propan-2-yloxypyrimidin-5-yl)acetic acid
SMILESCc1ncc(C(N)C(=O)O)c(OC(C)C)n1
InChIInChI=1S/C10H15N3O3/c1-5(2)16-9-7(8(11)10(14)15)4-12-6(3)13-9/h4-5,8H,11H2,1-3H3,(H,14,15)
InChIKeyYJIOSGJRWGBKQR-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.66
Rot. Bonds4

About 2-amino-2-(2-methyl-4-propan-2-yloxypyrimidin-5-yl)acetic acid

2-amino-2-(2-methyl-4-propan-2-yloxypyrimidin-5-yl)acetic acid (PubChem CID 83892143) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-amino-2-(2-methyl-4-propan-2-yloxypyrimidin-5-yl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(2-methyl-4-propan-2-yloxypyrimidin-5-yl)acetic acid
PubChem CID83892143
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name2-amino-2-(2-methyl-4-propan-2-yloxypyrimidin-5-yl)acetic acid
SMILESCc1ncc(C(N)C(=O)O)c(OC(C)C)n1
InChIInChI=1S/C10H15N3O3/c1-5(2)16-9-7(8(11)10(14)15)4-12-6(3)13-9/h4-5,8H,11H2,1-3H3,(H,14,15)
InChIKeyYJIOSGJRWGBKQR-UHFFFAOYSA-N
XLogP0.66
TPSA98.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(2-methyl-4-propan-2-yloxypyrimidin-5-yl)acetic acid?
The IUPAC name of 2-amino-2-(2-methyl-4-propan-2-yloxypyrimidin-5-yl)acetic acid (CID 83892143) is 2-amino-2-(2-methyl-4-propan-2-yloxypyrimidin-5-yl)acetic acid.
What is the SMILES notation for 2-amino-2-(2-methyl-4-propan-2-yloxypyrimidin-5-yl)acetic acid?
The canonical SMILES for 2-amino-2-(2-methyl-4-propan-2-yloxypyrimidin-5-yl)acetic acid is Cc1ncc(C(N)C(=O)O)c(OC(C)C)n1.
What is the InChIKey of 2-amino-2-(2-methyl-4-propan-2-yloxypyrimidin-5-yl)acetic acid?
The InChIKey is YJIOSGJRWGBKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-5(2)16-9-7(8(11)10(14)15)4-12-6(3)13-9/h4-5,8H,11H2,1-3H3,(H,14,15).
What are the key properties of 2-amino-2-(2-methyl-4-propan-2-yloxypyrimidin-5-yl)acetic acid?
2-amino-2-(2-methyl-4-propan-2-yloxypyrimidin-5-yl)acetic acid has a molecular weight of 225.25 g/mol, XLogP of 0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(2-methyl-4-propan-2-yloxypyrimidin-5-yl)acetic acid is sourced from PubChem (CID 83892143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).