6-amino-5-ethyl-2-propan-2-ylpyrimidine-4-carboxylic acid

C10H15N3O2 — CID 84676883

IUPAC6-amino-5-ethyl-2-propan-2-ylpyrimidine-4-carboxylic acid
SMILESCCc1c(N)nc(C(C)C)nc1C(=O)O
InChIInChI=1S/C10H15N3O2/c1-4-6-7(10(14)15)12-9(5(2)3)13-8(6)11/h5H,4H2,1-3H3,(H,14,15)(H2,11,12,13)
InChIKeyXSNHOBXPZVBMNC-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.44
Rot. Bonds3

About 6-amino-5-ethyl-2-propan-2-ylpyrimidine-4-carboxylic acid

6-amino-5-ethyl-2-propan-2-ylpyrimidine-4-carboxylic acid (PubChem CID 84676883) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 6-amino-5-ethyl-2-propan-2-ylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-amino-5-ethyl-2-propan-2-ylpyrimidine-4-carboxylic acid
PubChem CID84676883
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name6-amino-5-ethyl-2-propan-2-ylpyrimidine-4-carboxylic acid
SMILESCCc1c(N)nc(C(C)C)nc1C(=O)O
InChIInChI=1S/C10H15N3O2/c1-4-6-7(10(14)15)12-9(5(2)3)13-8(6)11/h5H,4H2,1-3H3,(H,14,15)(H2,11,12,13)
InChIKeyXSNHOBXPZVBMNC-UHFFFAOYSA-N
XLogP1.44
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-ethyl-2-propan-2-ylpyrimidine-4-carboxylic acid?
The IUPAC name of 6-amino-5-ethyl-2-propan-2-ylpyrimidine-4-carboxylic acid (CID 84676883) is 6-amino-5-ethyl-2-propan-2-ylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-amino-5-ethyl-2-propan-2-ylpyrimidine-4-carboxylic acid?
The canonical SMILES for 6-amino-5-ethyl-2-propan-2-ylpyrimidine-4-carboxylic acid is CCc1c(N)nc(C(C)C)nc1C(=O)O.
What is the InChIKey of 6-amino-5-ethyl-2-propan-2-ylpyrimidine-4-carboxylic acid?
The InChIKey is XSNHOBXPZVBMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-4-6-7(10(14)15)12-9(5(2)3)13-8(6)11/h5H,4H2,1-3H3,(H,14,15)(H2,11,12,13).
What are the key properties of 6-amino-5-ethyl-2-propan-2-ylpyrimidine-4-carboxylic acid?
6-amino-5-ethyl-2-propan-2-ylpyrimidine-4-carboxylic acid has a molecular weight of 209.25 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-ethyl-2-propan-2-ylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 84676883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).