2-propan-2-yl-5-(2,2,6-trimethylmorpholin-4-yl)pyrimidine-4-carboxylic acid

C15H23N3O3 — CID 62088306

IUPAC2-propan-2-yl-5-(2,2,6-trimethylmorpholin-4-yl)pyrimidine-4-carboxylic acid
SMILESCC1CN(c2cnc(C(C)C)nc2C(=O)O)CC(C)(C)O1
InChIInChI=1S/C15H23N3O3/c1-9(2)13-16-6-11(12(17-13)14(19)20)18-7-10(3)21-15(4,5)8-18/h6,9-10H,7-8H2,1-5H3,(H,19,20)
InChIKeyDDGQLHJLDNFWRA-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.30
Rot. Bonds3

About 2-propan-2-yl-5-(2,2,6-trimethylmorpholin-4-yl)pyrimidine-4-carboxylic acid

2-propan-2-yl-5-(2,2,6-trimethylmorpholin-4-yl)pyrimidine-4-carboxylic acid (PubChem CID 62088306) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-propan-2-yl-5-(2,2,6-trimethylmorpholin-4-yl)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-propan-2-yl-5-(2,2,6-trimethylmorpholin-4-yl)pyrimidine-4-carboxylic acid
PubChem CID62088306
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name2-propan-2-yl-5-(2,2,6-trimethylmorpholin-4-yl)pyrimidine-4-carboxylic acid
SMILESCC1CN(c2cnc(C(C)C)nc2C(=O)O)CC(C)(C)O1
InChIInChI=1S/C15H23N3O3/c1-9(2)13-16-6-11(12(17-13)14(19)20)18-7-10(3)21-15(4,5)8-18/h6,9-10H,7-8H2,1-5H3,(H,19,20)
InChIKeyDDGQLHJLDNFWRA-UHFFFAOYSA-N
XLogP2.30
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-5-(2,2,6-trimethylmorpholin-4-yl)pyrimidine-4-carboxylic acid?
The IUPAC name of 2-propan-2-yl-5-(2,2,6-trimethylmorpholin-4-yl)pyrimidine-4-carboxylic acid (CID 62088306) is 2-propan-2-yl-5-(2,2,6-trimethylmorpholin-4-yl)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-propan-2-yl-5-(2,2,6-trimethylmorpholin-4-yl)pyrimidine-4-carboxylic acid?
The canonical SMILES for 2-propan-2-yl-5-(2,2,6-trimethylmorpholin-4-yl)pyrimidine-4-carboxylic acid is CC1CN(c2cnc(C(C)C)nc2C(=O)O)CC(C)(C)O1.
What is the InChIKey of 2-propan-2-yl-5-(2,2,6-trimethylmorpholin-4-yl)pyrimidine-4-carboxylic acid?
The InChIKey is DDGQLHJLDNFWRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-9(2)13-16-6-11(12(17-13)14(19)20)18-7-10(3)21-15(4,5)8-18/h6,9-10H,7-8H2,1-5H3,(H,19,20).
What are the key properties of 2-propan-2-yl-5-(2,2,6-trimethylmorpholin-4-yl)pyrimidine-4-carboxylic acid?
2-propan-2-yl-5-(2,2,6-trimethylmorpholin-4-yl)pyrimidine-4-carboxylic acid has a molecular weight of 293.37 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-5-(2,2,6-trimethylmorpholin-4-yl)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 62088306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).