2-(2-methoxyethyl)-4-(propan-2-ylamino)pyrimidine-5-carboxylic acid

C11H17N3O3 — CID 53215000

IUPAC2-(2-methoxyethyl)-4-(propan-2-ylamino)pyrimidine-5-carboxylic acid
SMILESCOCCc1ncc(C(=O)O)c(NC(C)C)n1
InChIInChI=1S/C11H17N3O3/c1-7(2)13-10-8(11(15)16)6-12-9(14-10)4-5-17-3/h6-7H,4-5H2,1-3H3,(H,15,16)(H,12,13,14)
InChIKeyGXLZTNVOJRMANW-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.18
Rot. Bonds6

About 2-(2-methoxyethyl)-4-(propan-2-ylamino)pyrimidine-5-carboxylic acid

2-(2-methoxyethyl)-4-(propan-2-ylamino)pyrimidine-5-carboxylic acid (PubChem CID 53215000) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-4-(propan-2-ylamino)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(2-methoxyethyl)-4-(propan-2-ylamino)pyrimidine-5-carboxylic acid
PubChem CID53215000
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name2-(2-methoxyethyl)-4-(propan-2-ylamino)pyrimidine-5-carboxylic acid
SMILESCOCCc1ncc(C(=O)O)c(NC(C)C)n1
InChIInChI=1S/C11H17N3O3/c1-7(2)13-10-8(11(15)16)6-12-9(14-10)4-5-17-3/h6-7H,4-5H2,1-3H3,(H,15,16)(H,12,13,14)
InChIKeyGXLZTNVOJRMANW-UHFFFAOYSA-N
XLogP1.18
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-4-(propan-2-ylamino)pyrimidine-5-carboxylic acid?
The IUPAC name of 2-(2-methoxyethyl)-4-(propan-2-ylamino)pyrimidine-5-carboxylic acid (CID 53215000) is 2-(2-methoxyethyl)-4-(propan-2-ylamino)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-(2-methoxyethyl)-4-(propan-2-ylamino)pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-(2-methoxyethyl)-4-(propan-2-ylamino)pyrimidine-5-carboxylic acid is COCCc1ncc(C(=O)O)c(NC(C)C)n1.
What is the InChIKey of 2-(2-methoxyethyl)-4-(propan-2-ylamino)pyrimidine-5-carboxylic acid?
The InChIKey is GXLZTNVOJRMANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-7(2)13-10-8(11(15)16)6-12-9(14-10)4-5-17-3/h6-7H,4-5H2,1-3H3,(H,15,16)(H,12,13,14).
What are the key properties of 2-(2-methoxyethyl)-4-(propan-2-ylamino)pyrimidine-5-carboxylic acid?
2-(2-methoxyethyl)-4-(propan-2-ylamino)pyrimidine-5-carboxylic acid has a molecular weight of 239.27 g/mol, XLogP of 1.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-4-(propan-2-ylamino)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 53215000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).