5-[ethyl(propan-2-yl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid

C13H21N3O2 — CID 62087221

IUPAC5-[ethyl(propan-2-yl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid
SMILESCCN(c1cnc(C(C)C)nc1C(=O)O)C(C)C
InChIInChI=1S/C13H21N3O2/c1-6-16(9(4)5)10-7-14-12(8(2)3)15-11(10)13(17)18/h7-9H,6H2,1-5H3,(H,17,18)
InChIKeyZYFCWOJTSRFIAT-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.53
Rot. Bonds5

About 5-[ethyl(propan-2-yl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid

5-[ethyl(propan-2-yl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid (PubChem CID 62087221) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 5-[ethyl(propan-2-yl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name5-[ethyl(propan-2-yl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid
PubChem CID62087221
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name5-[ethyl(propan-2-yl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid
SMILESCCN(c1cnc(C(C)C)nc1C(=O)O)C(C)C
InChIInChI=1S/C13H21N3O2/c1-6-16(9(4)5)10-7-14-12(8(2)3)15-11(10)13(17)18/h7-9H,6H2,1-5H3,(H,17,18)
InChIKeyZYFCWOJTSRFIAT-UHFFFAOYSA-N
XLogP2.53
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[ethyl(propan-2-yl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid?
The IUPAC name of 5-[ethyl(propan-2-yl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid (CID 62087221) is 5-[ethyl(propan-2-yl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 5-[ethyl(propan-2-yl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid?
The canonical SMILES for 5-[ethyl(propan-2-yl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid is CCN(c1cnc(C(C)C)nc1C(=O)O)C(C)C.
What is the InChIKey of 5-[ethyl(propan-2-yl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid?
The InChIKey is ZYFCWOJTSRFIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-6-16(9(4)5)10-7-14-12(8(2)3)15-11(10)13(17)18/h7-9H,6H2,1-5H3,(H,17,18).
What are the key properties of 5-[ethyl(propan-2-yl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid?
5-[ethyl(propan-2-yl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid has a molecular weight of 251.33 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[ethyl(propan-2-yl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 62087221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).