2-amino-4-methyl-6-propan-2-yloxypyrimidine-5-carboxylic acid

C9H13N3O3 — CID 170692872

IUPAC2-amino-4-methyl-6-propan-2-yloxypyrimidine-5-carboxylic acid
SMILESCc1nc(N)nc(OC(C)C)c1C(=O)O
InChIInChI=1S/C9H13N3O3/c1-4(2)15-7-6(8(13)14)5(3)11-9(10)12-7/h4H,1-3H3,(H,13,14)(H2,10,11,12)
InChIKeyMZDNOZDBRDQVAH-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.85
Rot. Bonds3

About 2-amino-4-methyl-6-propan-2-yloxypyrimidine-5-carboxylic acid

2-amino-4-methyl-6-propan-2-yloxypyrimidine-5-carboxylic acid (PubChem CID 170692872) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 2-amino-4-methyl-6-propan-2-yloxypyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-amino-4-methyl-6-propan-2-yloxypyrimidine-5-carboxylic acid
PubChem CID170692872
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name2-amino-4-methyl-6-propan-2-yloxypyrimidine-5-carboxylic acid
SMILESCc1nc(N)nc(OC(C)C)c1C(=O)O
InChIInChI=1S/C9H13N3O3/c1-4(2)15-7-6(8(13)14)5(3)11-9(10)12-7/h4H,1-3H3,(H,13,14)(H2,10,11,12)
InChIKeyMZDNOZDBRDQVAH-UHFFFAOYSA-N
XLogP0.85
TPSA98.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-6-propan-2-yloxypyrimidine-5-carboxylic acid?
The IUPAC name of 2-amino-4-methyl-6-propan-2-yloxypyrimidine-5-carboxylic acid (CID 170692872) is 2-amino-4-methyl-6-propan-2-yloxypyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-amino-4-methyl-6-propan-2-yloxypyrimidine-5-carboxylic acid?
The canonical SMILES for 2-amino-4-methyl-6-propan-2-yloxypyrimidine-5-carboxylic acid is Cc1nc(N)nc(OC(C)C)c1C(=O)O.
What is the InChIKey of 2-amino-4-methyl-6-propan-2-yloxypyrimidine-5-carboxylic acid?
The InChIKey is MZDNOZDBRDQVAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-4(2)15-7-6(8(13)14)5(3)11-9(10)12-7/h4H,1-3H3,(H,13,14)(H2,10,11,12).
What are the key properties of 2-amino-4-methyl-6-propan-2-yloxypyrimidine-5-carboxylic acid?
2-amino-4-methyl-6-propan-2-yloxypyrimidine-5-carboxylic acid has a molecular weight of 211.22 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-6-propan-2-yloxypyrimidine-5-carboxylic acid is sourced from PubChem (CID 170692872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).