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

C11H15N3O4 — CID 43310690

IUPAC2-[4,6-dimethyl-1-[2-(methylamino)-2-oxoethyl]-2-oxopyrimidin-5-yl]acetic acid
SMILESCNC(=O)Cn1c(C)c(CC(=O)O)c(C)nc1=O
InChIInChI=1S/C11H15N3O4/c1-6-8(4-10(16)17)7(2)14(11(18)13-6)5-9(15)12-3/h4-5H2,1-3H3,(H,12,15)(H,16,17)
InChIKeyBPCMWEPBDPQSNY-UHFFFAOYSA-N
MW253.26 g/mol
LogP-0.77
Rot. Bonds4

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

2-[4,6-dimethyl-1-[2-(methylamino)-2-oxoethyl]-2-oxopyrimidin-5-yl]acetic acid (PubChem CID 43310690) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-[4,6-dimethyl-1-[2-(methylamino)-2-oxoethyl]-2-oxopyrimidin-5-yl]acetic acid.

Molecular Properties

Compound Name2-[4,6-dimethyl-1-[2-(methylamino)-2-oxoethyl]-2-oxopyrimidin-5-yl]acetic acid
PubChem CID43310690
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name2-[4,6-dimethyl-1-[2-(methylamino)-2-oxoethyl]-2-oxopyrimidin-5-yl]acetic acid
SMILESCNC(=O)Cn1c(C)c(CC(=O)O)c(C)nc1=O
InChIInChI=1S/C11H15N3O4/c1-6-8(4-10(16)17)7(2)14(11(18)13-6)5-9(15)12-3/h4-5H2,1-3H3,(H,12,15)(H,16,17)
InChIKeyBPCMWEPBDPQSNY-UHFFFAOYSA-N
XLogP-0.77
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-0.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(2-Amino-2-oxoethyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid
CID 43145171
2-[1-[2-(Dimethylamino)ethyl]-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid
CID 43145177
2-(1-Ethyl-4,6-dimethyl-2-oxopyrimidin-5-yl)acetic acid
CID 43145199
3-[4,6-Dimethyl-1-[2-(methylamino)-2-oxoethyl]-2-oxopyrimidin-5-yl]propanoic acid
CID 43310689
3-[1-[2-(Dimethylamino)-2-oxoethyl]-4,6-dimethyl-2-oxopyrimidin-5-yl]propanoic acid
CID 43311108
2-[1-[2-(Dimethylamino)-2-oxoethyl]-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid
CID 43311109
3-[1-(2-Amino-2-oxoethyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]propanoic acid
CID 43327678
2-[1-[2-(Diethylamino)ethyl]-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid
CID 43327768
2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]acetic acid
CID 43354544
2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]propanoic acid
CID 43355414
2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]-methylamino]acetic acid
CID 43356374
2-[[2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]acetyl]amino]acetic acid
CID 43465472

Frequently Asked Questions

What is the IUPAC name of 2-[4,6-dimethyl-1-[2-(methylamino)-2-oxoethyl]-2-oxopyrimidin-5-yl]acetic acid?
The IUPAC name of 2-[4,6-dimethyl-1-[2-(methylamino)-2-oxoethyl]-2-oxopyrimidin-5-yl]acetic acid (CID 43310690) is 2-[4,6-dimethyl-1-[2-(methylamino)-2-oxoethyl]-2-oxopyrimidin-5-yl]acetic acid.
What is the SMILES notation for 2-[4,6-dimethyl-1-[2-(methylamino)-2-oxoethyl]-2-oxopyrimidin-5-yl]acetic acid?
The canonical SMILES for 2-[4,6-dimethyl-1-[2-(methylamino)-2-oxoethyl]-2-oxopyrimidin-5-yl]acetic acid is CNC(=O)Cn1c(C)c(CC(=O)O)c(C)nc1=O.
What is the InChIKey of 2-[4,6-dimethyl-1-[2-(methylamino)-2-oxoethyl]-2-oxopyrimidin-5-yl]acetic acid?
The InChIKey is BPCMWEPBDPQSNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-6-8(4-10(16)17)7(2)14(11(18)13-6)5-9(15)12-3/h4-5H2,1-3H3,(H,12,15)(H,16,17).
What are the key properties of 2-[4,6-dimethyl-1-[2-(methylamino)-2-oxoethyl]-2-oxopyrimidin-5-yl]acetic acid?
2-[4,6-dimethyl-1-[2-(methylamino)-2-oxoethyl]-2-oxopyrimidin-5-yl]acetic acid has a molecular weight of 253.26 g/mol, XLogP of -0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,6-dimethyl-1-[2-(methylamino)-2-oxoethyl]-2-oxopyrimidin-5-yl]acetic acid is sourced from PubChem (CID 43310690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).