2-[2-(dimethylamino)-2-oxoethyl]-4-methylpyrimidine-5-carboxylic acid

C10H13N3O3 — CID 99975576

IUPAC2-[2-(dimethylamino)-2-oxoethyl]-4-methylpyrimidine-5-carboxylic acid
SMILESCc1nc(CC(=O)N(C)C)ncc1C(=O)O
InChIInChI=1S/C10H13N3O3/c1-6-7(10(15)16)5-11-8(12-6)4-9(14)13(2)3/h5H,4H2,1-3H3,(H,15,16)
InChIKeyZHKUMRSKBLCLMV-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.11
Rot. Bonds3

About 2-[2-(dimethylamino)-2-oxoethyl]-4-methylpyrimidine-5-carboxylic acid

2-[2-(dimethylamino)-2-oxoethyl]-4-methylpyrimidine-5-carboxylic acid (PubChem CID 99975576) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 2-[2-(dimethylamino)-2-oxoethyl]-4-methylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-[2-(dimethylamino)-2-oxoethyl]-4-methylpyrimidine-5-carboxylic acid
PubChem CID99975576
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name2-[2-(dimethylamino)-2-oxoethyl]-4-methylpyrimidine-5-carboxylic acid
SMILESCc1nc(CC(=O)N(C)C)ncc1C(=O)O
InChIInChI=1S/C10H13N3O3/c1-6-7(10(15)16)5-11-8(12-6)4-9(14)13(2)3/h5H,4H2,1-3H3,(H,15,16)
InChIKeyZHKUMRSKBLCLMV-UHFFFAOYSA-N
XLogP0.11
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(dimethylamino)methyl]-4-methylpyrimidine-5-carboxylic acid
CID 79088609
4-methyl-2-[2-(methylamino)-2-oxoethyl]pyrimidine-5-carboxylic acid
CID 99975572
2,4-dimethylpyrimidine-5-carboxylic acid
CID 6487595
4-methyl-2-(pyridin-4-ylmethyl)pyrimidine-5-carboxylic acid
CID 62551774
2-[(4-bromophenyl)sulfanylmethyl]-4-methylpyrimidine-5-carboxylic acid
CID 66054935
2-[2-(diethylamino)ethylsulfanyl]-4-methylpyrimidine-5-carboxylic acid
CID 83184002
ethyl 2-(2-amino-2-oxoethyl)-4-methylpyrimidine-5-carboxylate
CID 102972424
2-[(4-chlorophenoxy)methyl]-4-methylpyrimidine-5-carboxylic acid
CID 53214743
2-(cyclobutyloxymethyl)-4-methylpyrimidine-5-carboxylic acid
CID 165448542
2-[(2-chloro-4-fluorophenyl)methyl]-4-methylpyrimidine-5-carboxylic acid
CID 63038273
2-[2-(dimethylcarbamoylamino)ethylamino]-4-methylpyrimidine-5-carboxylic acid
CID 83184782
4-methyl-2-(thiolan-3-ylmethyl)pyrimidine-5-carboxylic acid
CID 165445009

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)-2-oxoethyl]-4-methylpyrimidine-5-carboxylic acid?
The IUPAC name of 2-[2-(dimethylamino)-2-oxoethyl]-4-methylpyrimidine-5-carboxylic acid (CID 99975576) is 2-[2-(dimethylamino)-2-oxoethyl]-4-methylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-[2-(dimethylamino)-2-oxoethyl]-4-methylpyrimidine-5-carboxylic acid?
The canonical SMILES for 2-[2-(dimethylamino)-2-oxoethyl]-4-methylpyrimidine-5-carboxylic acid is Cc1nc(CC(=O)N(C)C)ncc1C(=O)O.
What is the InChIKey of 2-[2-(dimethylamino)-2-oxoethyl]-4-methylpyrimidine-5-carboxylic acid?
The InChIKey is ZHKUMRSKBLCLMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-6-7(10(15)16)5-11-8(12-6)4-9(14)13(2)3/h5H,4H2,1-3H3,(H,15,16).
What are the key properties of 2-[2-(dimethylamino)-2-oxoethyl]-4-methylpyrimidine-5-carboxylic acid?
2-[2-(dimethylamino)-2-oxoethyl]-4-methylpyrimidine-5-carboxylic acid has a molecular weight of 223.23 g/mol, XLogP of 0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)-2-oxoethyl]-4-methylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 99975576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).