4-amino-6-methyl-2-(4-propan-2-ylmorpholin-2-yl)pyrimidine-5-carboxylic acid

C13H20N4O3 — CID 116647390

IUPAC4-amino-6-methyl-2-(4-propan-2-ylmorpholin-2-yl)pyrimidine-5-carboxylic acid
SMILESCc1nc(C2CN(C(C)C)CCO2)nc(N)c1C(=O)O
InChIInChI=1S/C13H20N4O3/c1-7(2)17-4-5-20-9(6-17)12-15-8(3)10(13(18)19)11(14)16-12/h7,9H,4-6H2,1-3H3,(H,18,19)(H2,14,15,16)
InChIKeyWLIDLIFAWTXVLA-UHFFFAOYSA-N
MW280.33 g/mol
LogP0.85
Rot. Bonds3

About 4-amino-6-methyl-2-(4-propan-2-ylmorpholin-2-yl)pyrimidine-5-carboxylic acid

4-amino-6-methyl-2-(4-propan-2-ylmorpholin-2-yl)pyrimidine-5-carboxylic acid (PubChem CID 116647390) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is 4-amino-6-methyl-2-(4-propan-2-ylmorpholin-2-yl)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-amino-6-methyl-2-(4-propan-2-ylmorpholin-2-yl)pyrimidine-5-carboxylic acid
PubChem CID116647390
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name4-amino-6-methyl-2-(4-propan-2-ylmorpholin-2-yl)pyrimidine-5-carboxylic acid
SMILESCc1nc(C2CN(C(C)C)CCO2)nc(N)c1C(=O)O
InChIInChI=1S/C13H20N4O3/c1-7(2)17-4-5-20-9(6-17)12-15-8(3)10(13(18)19)11(14)16-12/h7,9H,4-6H2,1-3H3,(H,18,19)(H2,14,15,16)
InChIKeyWLIDLIFAWTXVLA-UHFFFAOYSA-N
XLogP0.85
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-methyl-2-(4-propan-2-ylmorpholin-2-yl)pyrimidine-5-carboxylic acid?
The IUPAC name of 4-amino-6-methyl-2-(4-propan-2-ylmorpholin-2-yl)pyrimidine-5-carboxylic acid (CID 116647390) is 4-amino-6-methyl-2-(4-propan-2-ylmorpholin-2-yl)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-amino-6-methyl-2-(4-propan-2-ylmorpholin-2-yl)pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-amino-6-methyl-2-(4-propan-2-ylmorpholin-2-yl)pyrimidine-5-carboxylic acid is Cc1nc(C2CN(C(C)C)CCO2)nc(N)c1C(=O)O.
What is the InChIKey of 4-amino-6-methyl-2-(4-propan-2-ylmorpholin-2-yl)pyrimidine-5-carboxylic acid?
The InChIKey is WLIDLIFAWTXVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-7(2)17-4-5-20-9(6-17)12-15-8(3)10(13(18)19)11(14)16-12/h7,9H,4-6H2,1-3H3,(H,18,19)(H2,14,15,16).
What are the key properties of 4-amino-6-methyl-2-(4-propan-2-ylmorpholin-2-yl)pyrimidine-5-carboxylic acid?
4-amino-6-methyl-2-(4-propan-2-ylmorpholin-2-yl)pyrimidine-5-carboxylic acid has a molecular weight of 280.33 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-methyl-2-(4-propan-2-ylmorpholin-2-yl)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 116647390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).