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

C15H23N3O3 — CID 43145194

IUPAC2-[1-[(1-ethylpyrrolidin-2-yl)methyl]-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid
SMILESCCN1CCCC1Cn1c(C)c(CC(=O)O)c(C)nc1=O
InChIInChI=1S/C15H23N3O3/c1-4-17-7-5-6-12(17)9-18-11(3)13(8-14(19)20)10(2)16-15(18)21/h12H,4-9H2,1-3H3,(H,19,20)
InChIKeyAVHADIDPEVCZTP-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.97
Rot. Bonds5

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

2-[1-[(1-ethylpyrrolidin-2-yl)methyl]-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid (PubChem CID 43145194) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-[1-[(1-ethylpyrrolidin-2-yl)methyl]-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(1-ethylpyrrolidin-2-yl)methyl]-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid
PubChem CID43145194
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name2-[1-[(1-ethylpyrrolidin-2-yl)methyl]-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid
SMILESCCN1CCCC1Cn1c(C)c(CC(=O)O)c(C)nc1=O
InChIInChI=1S/C15H23N3O3/c1-4-17-7-5-6-12(17)9-18-11(3)13(8-14(19)20)10(2)16-15(18)21/h12H,4-9H2,1-3H3,(H,19,20)
InChIKeyAVHADIDPEVCZTP-UHFFFAOYSA-N
XLogP0.97
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4,6-Dimethyl-2-oxo-1-(5,5,5-trifluoropentyl)pyrimidin-5-yl]acetic acid
CID 115521542
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
3-(4,6-Dimethyl-2-oxo-1-pentan-2-ylpyrimidin-5-yl)propanoic acid
CID 43145186
2-(1-Butan-2-yl-4,6-dimethyl-2-oxopyrimidin-5-yl)acetic acid
CID 43145192
2-(1-Ethyl-4,6-dimethyl-2-oxopyrimidin-5-yl)acetic acid
CID 43145199
2-(1-Cyclopropyl-4,6-dimethyl-2-oxopyrimidin-5-yl)acetic acid
CID 43145201
2-[4,6-Dimethyl-1-(2-methylpropyl)-2-oxopyrimidin-5-yl]acetic acid
CID 43145203
2-(4,6-Dimethyl-2-oxo-1-pentan-3-ylpyrimidin-5-yl)acetic acid
CID 43145204

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1-ethylpyrrolidin-2-yl)methyl]-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid?
The IUPAC name of 2-[1-[(1-ethylpyrrolidin-2-yl)methyl]-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid (CID 43145194) is 2-[1-[(1-ethylpyrrolidin-2-yl)methyl]-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid.
What is the SMILES notation for 2-[1-[(1-ethylpyrrolidin-2-yl)methyl]-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid?
The canonical SMILES for 2-[1-[(1-ethylpyrrolidin-2-yl)methyl]-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid is CCN1CCCC1Cn1c(C)c(CC(=O)O)c(C)nc1=O.
What is the InChIKey of 2-[1-[(1-ethylpyrrolidin-2-yl)methyl]-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid?
The InChIKey is AVHADIDPEVCZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-4-17-7-5-6-12(17)9-18-11(3)13(8-14(19)20)10(2)16-15(18)21/h12H,4-9H2,1-3H3,(H,19,20).
What are the key properties of 2-[1-[(1-ethylpyrrolidin-2-yl)methyl]-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid?
2-[1-[(1-ethylpyrrolidin-2-yl)methyl]-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid has a molecular weight of 293.37 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1-ethylpyrrolidin-2-yl)methyl]-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid is sourced from PubChem (CID 43145194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).