5-(2-hydroxyethylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid

C10H15N3O3 — CID 62487298

IUPAC5-(2-hydroxyethylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid
SMILESCC(C)c1ncc(NCCO)c(C(=O)O)n1
InChIInChI=1S/C10H15N3O3/c1-6(2)9-12-5-7(11-3-4-14)8(13-9)10(15)16/h5-6,11,14H,3-4H2,1-2H3,(H,15,16)
InChIKeyUZBXGMSPVJQISP-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.70
Rot. Bonds5

About 5-(2-hydroxyethylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid

5-(2-hydroxyethylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid (PubChem CID 62487298) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 5-(2-hydroxyethylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name5-(2-hydroxyethylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid
PubChem CID62487298
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name5-(2-hydroxyethylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid
SMILESCC(C)c1ncc(NCCO)c(C(=O)O)n1
InChIInChI=1S/C10H15N3O3/c1-6(2)9-12-5-7(11-3-4-14)8(13-9)10(15)16/h5-6,11,14H,3-4H2,1-2H3,(H,15,16)
InChIKeyUZBXGMSPVJQISP-UHFFFAOYSA-N
XLogP0.70
TPSA95.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxyethylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid?
The IUPAC name of 5-(2-hydroxyethylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid (CID 62487298) is 5-(2-hydroxyethylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 5-(2-hydroxyethylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid?
The canonical SMILES for 5-(2-hydroxyethylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid is CC(C)c1ncc(NCCO)c(C(=O)O)n1.
What is the InChIKey of 5-(2-hydroxyethylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid?
The InChIKey is UZBXGMSPVJQISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-6(2)9-12-5-7(11-3-4-14)8(13-9)10(15)16/h5-6,11,14H,3-4H2,1-2H3,(H,15,16).
What are the key properties of 5-(2-hydroxyethylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid?
5-(2-hydroxyethylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid has a molecular weight of 225.25 g/mol, XLogP of 0.70, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxyethylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 62487298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).