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

C11H15N3O2 — CID 84686698

IUPAC6-amino-5-cyclopropyl-2-propan-2-ylpyrimidine-4-carboxylic acid
SMILESCC(C)c1nc(N)c(C2CC2)c(C(=O)O)n1
InChIInChI=1S/C11H15N3O2/c1-5(2)10-13-8(11(15)16)7(6-3-4-6)9(12)14-10/h5-6H,3-4H2,1-2H3,(H,15,16)(H2,12,13,14)
InChIKeyNLFFBMRCLYUXKI-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.76
Rot. Bonds3

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

6-amino-5-cyclopropyl-2-propan-2-ylpyrimidine-4-carboxylic acid (PubChem CID 84686698) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 6-amino-5-cyclopropyl-2-propan-2-ylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-amino-5-cyclopropyl-2-propan-2-ylpyrimidine-4-carboxylic acid
PubChem CID84686698
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name6-amino-5-cyclopropyl-2-propan-2-ylpyrimidine-4-carboxylic acid
SMILESCC(C)c1nc(N)c(C2CC2)c(C(=O)O)n1
InChIInChI=1S/C11H15N3O2/c1-5(2)10-13-8(11(15)16)7(6-3-4-6)9(12)14-10/h5-6H,3-4H2,1-2H3,(H,15,16)(H2,12,13,14)
InChIKeyNLFFBMRCLYUXKI-UHFFFAOYSA-N
XLogP1.76
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-cyclopropyl-2-propan-2-ylpyrimidine-4-carboxylic acid?
The IUPAC name of 6-amino-5-cyclopropyl-2-propan-2-ylpyrimidine-4-carboxylic acid (CID 84686698) is 6-amino-5-cyclopropyl-2-propan-2-ylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-amino-5-cyclopropyl-2-propan-2-ylpyrimidine-4-carboxylic acid?
The canonical SMILES for 6-amino-5-cyclopropyl-2-propan-2-ylpyrimidine-4-carboxylic acid is CC(C)c1nc(N)c(C2CC2)c(C(=O)O)n1.
What is the InChIKey of 6-amino-5-cyclopropyl-2-propan-2-ylpyrimidine-4-carboxylic acid?
The InChIKey is NLFFBMRCLYUXKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-5(2)10-13-8(11(15)16)7(6-3-4-6)9(12)14-10/h5-6H,3-4H2,1-2H3,(H,15,16)(H2,12,13,14).
What are the key properties of 6-amino-5-cyclopropyl-2-propan-2-ylpyrimidine-4-carboxylic acid?
6-amino-5-cyclopropyl-2-propan-2-ylpyrimidine-4-carboxylic acid has a molecular weight of 221.26 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-cyclopropyl-2-propan-2-ylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 84686698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).