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

C12H19N3O3 — CID 43145177

IUPAC2-[1-[2-(dimethylamino)ethyl]-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid
SMILESCc1nc(=O)n(CCN(C)C)c(C)c1CC(=O)O
InChIInChI=1S/C12H19N3O3/c1-8-10(7-11(16)17)9(2)15(12(18)13-8)6-5-14(3)4/h5-7H2,1-4H3,(H,16,17)
InChIKeyVIHVWIYZYDRLRR-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.05
Rot. Bonds5

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

2-[1-[2-(dimethylamino)ethyl]-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid (PubChem CID 43145177) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-[1-[2-(dimethylamino)ethyl]-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(dimethylamino)ethyl]-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid
PubChem CID43145177
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name2-[1-[2-(dimethylamino)ethyl]-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid
SMILESCc1nc(=O)n(CCN(C)C)c(C)c1CC(=O)O
InChIInChI=1S/C12H19N3O3/c1-8-10(7-11(16)17)9(2)15(12(18)13-8)6-5-14(3)4/h5-7H2,1-4H3,(H,16,17)
InChIKeyVIHVWIYZYDRLRR-UHFFFAOYSA-N
XLogP0.05
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.05
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-[4,6-Dimethyl-2-oxo-1-(2,2,2-trifluoroethyl)pyrimidin-5-yl]propanoic acid
CID 62097253
2-[4,6-Dimethyl-2-oxo-1-(3,3,3-trifluoropropyl)pyrimidin-5-yl]acetic acid
CID 63227242
2-[4,6-Dimethyl-2-oxo-1-(3,3,3-trifluoropropyl)pyrimidin-5-yl]propanoic acid
CID 63227243
2-[4,6-Diethyl-2-oxo-1-(3,3,3-trifluoropropyl)pyrimidin-5-yl]acetic acid
CID 79218419
2-[4,6-Dimethyl-2-oxo-1-(4,4,4-trifluorobutan-2-yl)pyrimidin-5-yl]propanoic acid
CID 105933296
2-[4,6-Dimethyl-2-oxo-1-(4,4,4-trifluorobutan-2-yl)pyrimidin-5-yl]acetic acid
CID 105933301
2-[4,6-Dimethyl-2-oxo-1-(2,2,3,3-tetrafluoropropyl)pyrimidin-5-yl]acetic acid
CID 106295256
2-[1-(2,2-Difluoroethyl)-4,6-diethyl-2-oxopyrimidin-5-yl]acetic acid
CID 113303969
2-[1-(2,2-Difluoroethyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]propanoic acid
CID 113303971
2-[1-(2,2-Difluoroethyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid
CID 115408224
2-[4,6-Dimethyl-2-oxo-1-(4,4,4-trifluorobutyl)pyrimidin-5-yl]acetic acid
CID 115521540

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(dimethylamino)ethyl]-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid?
The IUPAC name of 2-[1-[2-(dimethylamino)ethyl]-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid (CID 43145177) is 2-[1-[2-(dimethylamino)ethyl]-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid.
What is the SMILES notation for 2-[1-[2-(dimethylamino)ethyl]-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid?
The canonical SMILES for 2-[1-[2-(dimethylamino)ethyl]-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid is Cc1nc(=O)n(CCN(C)C)c(C)c1CC(=O)O.
What is the InChIKey of 2-[1-[2-(dimethylamino)ethyl]-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid?
The InChIKey is VIHVWIYZYDRLRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-8-10(7-11(16)17)9(2)15(12(18)13-8)6-5-14(3)4/h5-7H2,1-4H3,(H,16,17).
What are the key properties of 2-[1-[2-(dimethylamino)ethyl]-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid?
2-[1-[2-(dimethylamino)ethyl]-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid has a molecular weight of 253.30 g/mol, XLogP of 0.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(dimethylamino)ethyl]-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid is sourced from PubChem (CID 43145177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).