2,5-dicyclopropyl-6-methoxypyrimidine-4-carboxylic acid

C12H14N2O3 — CID 84697489

IUPAC2,5-dicyclopropyl-6-methoxypyrimidine-4-carboxylic acid
SMILESCOc1nc(C2CC2)nc(C(=O)O)c1C1CC1
InChIInChI=1S/C12H14N2O3/c1-17-11-8(6-2-3-6)9(12(15)16)13-10(14-11)7-4-5-7/h6-7H,2-5H2,1H3,(H,15,16)
InChIKeyRRMZMPYPYUTILK-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.94
Rot. Bonds4

About 2,5-dicyclopropyl-6-methoxypyrimidine-4-carboxylic acid

2,5-dicyclopropyl-6-methoxypyrimidine-4-carboxylic acid (PubChem CID 84697489) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 2,5-dicyclopropyl-6-methoxypyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2,5-dicyclopropyl-6-methoxypyrimidine-4-carboxylic acid
PubChem CID84697489
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name2,5-dicyclopropyl-6-methoxypyrimidine-4-carboxylic acid
SMILESCOc1nc(C2CC2)nc(C(=O)O)c1C1CC1
InChIInChI=1S/C12H14N2O3/c1-17-11-8(6-2-3-6)9(12(15)16)13-10(14-11)7-4-5-7/h6-7H,2-5H2,1H3,(H,15,16)
InChIKeyRRMZMPYPYUTILK-UHFFFAOYSA-N
XLogP1.94
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dicyclopropyl-6-methoxypyrimidine-4-carboxylic acid?
The IUPAC name of 2,5-dicyclopropyl-6-methoxypyrimidine-4-carboxylic acid (CID 84697489) is 2,5-dicyclopropyl-6-methoxypyrimidine-4-carboxylic acid.
What is the SMILES notation for 2,5-dicyclopropyl-6-methoxypyrimidine-4-carboxylic acid?
The canonical SMILES for 2,5-dicyclopropyl-6-methoxypyrimidine-4-carboxylic acid is COc1nc(C2CC2)nc(C(=O)O)c1C1CC1.
What is the InChIKey of 2,5-dicyclopropyl-6-methoxypyrimidine-4-carboxylic acid?
The InChIKey is RRMZMPYPYUTILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-17-11-8(6-2-3-6)9(12(15)16)13-10(14-11)7-4-5-7/h6-7H,2-5H2,1H3,(H,15,16).
What are the key properties of 2,5-dicyclopropyl-6-methoxypyrimidine-4-carboxylic acid?
2,5-dicyclopropyl-6-methoxypyrimidine-4-carboxylic acid has a molecular weight of 234.25 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dicyclopropyl-6-methoxypyrimidine-4-carboxylic acid is sourced from PubChem (CID 84697489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).