2-[1-[2-(dimethylamino)-2-oxoethyl]-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid

C12H17N3O4 — CID 43311109

IUPAC2-[1-[2-(dimethylamino)-2-oxoethyl]-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid
SMILESCc1nc(=O)n(CC(=O)N(C)C)c(C)c1CC(=O)O
InChIInChI=1S/C12H17N3O4/c1-7-9(5-11(17)18)8(2)15(12(19)13-7)6-10(16)14(3)4/h5-6H2,1-4H3,(H,17,18)
InChIKeyGDFVMXJGYXCKIA-UHFFFAOYSA-N
MW267.28 g/mol
LogP-0.42
Rot. Bonds4

About 2-[1-[2-(dimethylamino)-2-oxoethyl]-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid

2-[1-[2-(dimethylamino)-2-oxoethyl]-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid (PubChem CID 43311109) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-[1-[2-(dimethylamino)-2-oxoethyl]-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(dimethylamino)-2-oxoethyl]-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid
PubChem CID43311109
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name2-[1-[2-(dimethylamino)-2-oxoethyl]-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid
SMILESCc1nc(=O)n(CC(=O)N(C)C)c(C)c1CC(=O)O
InChIInChI=1S/C12H17N3O4/c1-7-9(5-11(17)18)8(2)15(12(19)13-7)6-10(16)14(3)4/h5-6H2,1-4H3,(H,17,18)
InChIKeyGDFVMXJGYXCKIA-UHFFFAOYSA-N
XLogP-0.42
TPSA92.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4,6-Dimethyl-2-oxo-1-(2,2,2-trifluoroethyl)pyrimidin-5-yl]acetic acid
CID 43145190
2-[1-(2,2-Difluoroethyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid
CID 115408224
2-(1,4,6-Trimethyl-2-oxopyrimidin-5-yl)acetic acid
CID 43112140
2-[1-(2-Amino-2-oxoethyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid
CID 43145171
2-[1-(Cyclopropylmethyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid
CID 43145172
2-[1-[2-(Dimethylamino)ethyl]-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid
CID 43145177
2-(4,6-Dimethyl-2-oxo-1-propan-2-ylpyrimidin-5-yl)acetic acid
CID 43145179
2-(1-Butyl-4,6-dimethyl-2-oxopyrimidin-5-yl)acetic acid
CID 43145181
2-(4,6-Dimethyl-2-oxo-1-pentylpyrimidin-5-yl)acetic acid
CID 43145184
2-(1-Butan-2-yl-4,6-dimethyl-2-oxopyrimidin-5-yl)acetic acid
CID 43145192
2-[1-[(1-Ethylpyrrolidin-2-yl)methyl]-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid
CID 43145194
3-(1-Ethyl-4,6-dimethyl-2-oxopyrimidin-5-yl)propanoic acid
CID 43145198

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(dimethylamino)-2-oxoethyl]-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid?
The IUPAC name of 2-[1-[2-(dimethylamino)-2-oxoethyl]-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid (CID 43311109) is 2-[1-[2-(dimethylamino)-2-oxoethyl]-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid.
What is the SMILES notation for 2-[1-[2-(dimethylamino)-2-oxoethyl]-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid?
The canonical SMILES for 2-[1-[2-(dimethylamino)-2-oxoethyl]-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid is Cc1nc(=O)n(CC(=O)N(C)C)c(C)c1CC(=O)O.
What is the InChIKey of 2-[1-[2-(dimethylamino)-2-oxoethyl]-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid?
The InChIKey is GDFVMXJGYXCKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-7-9(5-11(17)18)8(2)15(12(19)13-7)6-10(16)14(3)4/h5-6H2,1-4H3,(H,17,18).
What are the key properties of 2-[1-[2-(dimethylamino)-2-oxoethyl]-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid?
2-[1-[2-(dimethylamino)-2-oxoethyl]-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid has a molecular weight of 267.28 g/mol, XLogP of -0.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(dimethylamino)-2-oxoethyl]-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid is sourced from PubChem (CID 43311109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).