4,6-dimethyl-2-(4-methylmorpholin-2-yl)pyrimidine-5-carboxylic acid

C12H17N3O3 — CID 79089338

IUPAC4,6-dimethyl-2-(4-methylmorpholin-2-yl)pyrimidine-5-carboxylic acid
SMILESCc1nc(C2CN(C)CCO2)nc(C)c1C(=O)O
InChIInChI=1S/C12H17N3O3/c1-7-10(12(16)17)8(2)14-11(13-7)9-6-15(3)4-5-18-9/h9H,4-6H2,1-3H3,(H,16,17)
InChIKeyWAPMPBFINSEXLR-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.79
Rot. Bonds2

About 4,6-dimethyl-2-(4-methylmorpholin-2-yl)pyrimidine-5-carboxylic acid

4,6-dimethyl-2-(4-methylmorpholin-2-yl)pyrimidine-5-carboxylic acid (PubChem CID 79089338) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 4,6-dimethyl-2-(4-methylmorpholin-2-yl)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4,6-dimethyl-2-(4-methylmorpholin-2-yl)pyrimidine-5-carboxylic acid
PubChem CID79089338
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name4,6-dimethyl-2-(4-methylmorpholin-2-yl)pyrimidine-5-carboxylic acid
SMILESCc1nc(C2CN(C)CCO2)nc(C)c1C(=O)O
InChIInChI=1S/C12H17N3O3/c1-7-10(12(16)17)8(2)14-11(13-7)9-6-15(3)4-5-18-9/h9H,4-6H2,1-3H3,(H,16,17)
InChIKeyWAPMPBFINSEXLR-UHFFFAOYSA-N
XLogP0.79
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5,6-dimethyl-2-(4-methylmorpholin-2-yl)pyrimidin-4-amine
CID 79088525
4-amino-6-methyl-2-(4-propan-2-ylmorpholin-2-yl)pyrimidine-5-carboxylic acid
CID 116647390
6-methyl-2-(4-methylmorpholin-2-yl)-5-propan-2-ylpyrimidin-4-amine
CID 79088985
2-(4-chloro-6-methyl-5-propan-2-ylpyrimidin-2-yl)-4-methylmorpholine
CID 79077180
4-methyl-6-(4-methylmorpholin-2-yl)-1,3,5-triazin-2-amine
CID 79085098
1-[4-methyl-2-(4-methylmorpholin-2-yl)pyrimidin-5-yl]ethanol
CID 79088547
N-[[4,6-dimethyl-2-(4-methylmorpholin-2-yl)pyrimidin-5-yl]methyl]propan-1-amine
CID 79088552
N-ethyl-5-fluoro-6-methyl-2-(4-methylmorpholin-2-yl)pyrimidin-4-amine
CID 79088256
6-methyl-2-(4-methylmorpholin-2-yl)pyrimidin-4-amine
CID 79088802
[3-(4-methylmorpholin-2-yl)-1H-1,2,4-triazol-5-yl]methanol
CID 79600443
3,5-dimethyl-1-[(4-methylmorpholin-2-yl)methyl]pyrazole-4-carboxylic acid
CID 79171673
N-methyl-1-[6-methyl-2-(4-methylmorpholin-2-yl)pyrimidin-4-yl]methanamine
CID 79089279

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-(4-methylmorpholin-2-yl)pyrimidine-5-carboxylic acid?
The IUPAC name of 4,6-dimethyl-2-(4-methylmorpholin-2-yl)pyrimidine-5-carboxylic acid (CID 79089338) is 4,6-dimethyl-2-(4-methylmorpholin-2-yl)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4,6-dimethyl-2-(4-methylmorpholin-2-yl)pyrimidine-5-carboxylic acid?
The canonical SMILES for 4,6-dimethyl-2-(4-methylmorpholin-2-yl)pyrimidine-5-carboxylic acid is Cc1nc(C2CN(C)CCO2)nc(C)c1C(=O)O.
What is the InChIKey of 4,6-dimethyl-2-(4-methylmorpholin-2-yl)pyrimidine-5-carboxylic acid?
The InChIKey is WAPMPBFINSEXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-7-10(12(16)17)8(2)14-11(13-7)9-6-15(3)4-5-18-9/h9H,4-6H2,1-3H3,(H,16,17).
What are the key properties of 4,6-dimethyl-2-(4-methylmorpholin-2-yl)pyrimidine-5-carboxylic acid?
4,6-dimethyl-2-(4-methylmorpholin-2-yl)pyrimidine-5-carboxylic acid has a molecular weight of 251.29 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-(4-methylmorpholin-2-yl)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 79089338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).