4-methyl-2-[2-(methylamino)-2-oxoethyl]pyrimidine-5-carboxylic acid

C9H11N3O3 — CID 99975572

IUPAC4-methyl-2-[2-(methylamino)-2-oxoethyl]pyrimidine-5-carboxylic acid
SMILESCNC(=O)Cc1ncc(C(=O)O)c(C)n1
InChIInChI=1S/C9H11N3O3/c1-5-6(9(14)15)4-11-7(12-5)3-8(13)10-2/h4H,3H2,1-2H3,(H,10,13)(H,14,15)
InChIKeyHMCRTXINEPZAMS-UHFFFAOYSA-N
MW209.20 g/mol
LogP-0.23
Rot. Bonds3

About 4-methyl-2-[2-(methylamino)-2-oxoethyl]pyrimidine-5-carboxylic acid

4-methyl-2-[2-(methylamino)-2-oxoethyl]pyrimidine-5-carboxylic acid (PubChem CID 99975572) has the molecular formula C9H11N3O3 and a molecular weight of 209.20 g/mol. Its IUPAC name is 4-methyl-2-[2-(methylamino)-2-oxoethyl]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-[2-(methylamino)-2-oxoethyl]pyrimidine-5-carboxylic acid
PubChem CID99975572
Molecular FormulaC9H11N3O3
Molecular Weight209.20 g/mol
Exact Mass209.08
IUPAC Name4-methyl-2-[2-(methylamino)-2-oxoethyl]pyrimidine-5-carboxylic acid
SMILESCNC(=O)Cc1ncc(C(=O)O)c(C)n1
InChIInChI=1S/C9H11N3O3/c1-5-6(9(14)15)4-11-7(12-5)3-8(13)10-2/h4H,3H2,1-2H3,(H,10,13)(H,14,15)
InChIKeyHMCRTXINEPZAMS-UHFFFAOYSA-N
XLogP-0.23
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(dimethylamino)-2-oxoethyl]-4-methylpyrimidine-5-carboxylic acid
CID 99975576
2-[(dimethylamino)methyl]-4-methylpyrimidine-5-carboxylic acid
CID 79088609
4-methyl-2-(pyridin-4-ylmethyl)pyrimidine-5-carboxylic acid
CID 62551774
2,4-dimethylpyrimidine-5-carboxylic acid
CID 6487595
2-[(2-chloro-4-fluorophenyl)methyl]-4-methylpyrimidine-5-carboxylic acid
CID 63038273
2-(methoxyamino)-4-methylpyrimidine-5-carboxylic acid
CID 90980975
2-[(4-chlorophenoxy)methyl]-4-methylpyrimidine-5-carboxylic acid
CID 53214743
2-[(2-ethylphenyl)methylamino]-4-methylpyrimidine-5-carboxylic acid
CID 83181251
2-(cyclobutyloxymethyl)-4-methylpyrimidine-5-carboxylic acid
CID 165448542
4-methyl-2-(thiolan-3-ylmethyl)pyrimidine-5-carboxylic acid
CID 165445009
2-[(4-bromophenyl)sulfanylmethyl]-4-methylpyrimidine-5-carboxylic acid
CID 66054935
2-[(4-tert-butylphenoxy)methyl]-4-methylpyrimidine-5-carboxylic acid
CID 99976947

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[2-(methylamino)-2-oxoethyl]pyrimidine-5-carboxylic acid?
The IUPAC name of 4-methyl-2-[2-(methylamino)-2-oxoethyl]pyrimidine-5-carboxylic acid (CID 99975572) is 4-methyl-2-[2-(methylamino)-2-oxoethyl]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-methyl-2-[2-(methylamino)-2-oxoethyl]pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-methyl-2-[2-(methylamino)-2-oxoethyl]pyrimidine-5-carboxylic acid is CNC(=O)Cc1ncc(C(=O)O)c(C)n1.
What is the InChIKey of 4-methyl-2-[2-(methylamino)-2-oxoethyl]pyrimidine-5-carboxylic acid?
The InChIKey is HMCRTXINEPZAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3/c1-5-6(9(14)15)4-11-7(12-5)3-8(13)10-2/h4H,3H2,1-2H3,(H,10,13)(H,14,15).
What are the key properties of 4-methyl-2-[2-(methylamino)-2-oxoethyl]pyrimidine-5-carboxylic acid?
4-methyl-2-[2-(methylamino)-2-oxoethyl]pyrimidine-5-carboxylic acid has a molecular weight of 209.20 g/mol, XLogP of -0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[2-(methylamino)-2-oxoethyl]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 99975572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).