2-ethyl-5-[2-[(3S)-3-methoxypyrrolidin-1-yl]-2-oxoethyl]-4-methyl-1H-pyrimidin-6-one

C14H21N3O3 — CID 136849634

IUPAC2-ethyl-5-[2-[(3S)-3-methoxypyrrolidin-1-yl]-2-oxoethyl]-4-methyl-1H-pyrimidin-6-one
SMILESCCc1nc(C)c(CC(=O)N2CC[C@H](OC)C2)c(=O)[nH]1
InChIInChI=1S/C14H21N3O3/c1-4-12-15-9(2)11(14(19)16-12)7-13(18)17-6-5-10(8-17)20-3/h10H,4-8H2,1-3H3,(H,15,16,19)/t10-/m0/s1
InChIKeyYNILFZWWXUXWAU-JTQLQIEISA-N
MW279.34 g/mol
LogP0.43
Rot. Bonds4

About 2-ethyl-5-[2-[(3S)-3-methoxypyrrolidin-1-yl]-2-oxoethyl]-4-methyl-1H-pyrimidin-6-one

2-ethyl-5-[2-[(3S)-3-methoxypyrrolidin-1-yl]-2-oxoethyl]-4-methyl-1H-pyrimidin-6-one (PubChem CID 136849634) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-ethyl-5-[2-[(3S)-3-methoxypyrrolidin-1-yl]-2-oxoethyl]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-5-[2-[(3S)-3-methoxypyrrolidin-1-yl]-2-oxoethyl]-4-methyl-1H-pyrimidin-6-one
PubChem CID136849634
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name2-ethyl-5-[2-[(3S)-3-methoxypyrrolidin-1-yl]-2-oxoethyl]-4-methyl-1H-pyrimidin-6-one
SMILESCCc1nc(C)c(CC(=O)N2CC[C@H](OC)C2)c(=O)[nH]1
InChIInChI=1S/C14H21N3O3/c1-4-12-15-9(2)11(14(19)16-12)7-13(18)17-6-5-10(8-17)20-3/h10H,4-8H2,1-3H3,(H,15,16,19)/t10-/m0/s1
InChIKeyYNILFZWWXUXWAU-JTQLQIEISA-N
XLogP0.43
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[2-[(3S)-3-methoxypyrrolidin-1-yl]-2-oxoethyl]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-5-[2-[(3S)-3-methoxypyrrolidin-1-yl]-2-oxoethyl]-4-methyl-1H-pyrimidin-6-one (CID 136849634) is 2-ethyl-5-[2-[(3S)-3-methoxypyrrolidin-1-yl]-2-oxoethyl]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-5-[2-[(3S)-3-methoxypyrrolidin-1-yl]-2-oxoethyl]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-5-[2-[(3S)-3-methoxypyrrolidin-1-yl]-2-oxoethyl]-4-methyl-1H-pyrimidin-6-one is CCc1nc(C)c(CC(=O)N2CC[C@H](OC)C2)c(=O)[nH]1.
What is the InChIKey of 2-ethyl-5-[2-[(3S)-3-methoxypyrrolidin-1-yl]-2-oxoethyl]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is YNILFZWWXUXWAU-JTQLQIEISA-N. The full InChI is InChI=1S/C14H21N3O3/c1-4-12-15-9(2)11(14(19)16-12)7-13(18)17-6-5-10(8-17)20-3/h10H,4-8H2,1-3H3,(H,15,16,19)/t10-/m0/s1.
What are the key properties of 2-ethyl-5-[2-[(3S)-3-methoxypyrrolidin-1-yl]-2-oxoethyl]-4-methyl-1H-pyrimidin-6-one?
2-ethyl-5-[2-[(3S)-3-methoxypyrrolidin-1-yl]-2-oxoethyl]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 279.34 g/mol, XLogP of 0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[2-[(3S)-3-methoxypyrrolidin-1-yl]-2-oxoethyl]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136849634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).