4-(3-methoxypyrrolidin-1-yl)-2-methyl-1H-pyrimidin-6-one

C10H15N3O2 — CID 136706901

IUPAC4-(3-methoxypyrrolidin-1-yl)-2-methyl-1H-pyrimidin-6-one
SMILESCOC1CCN(c2cc(=O)[nH]c(C)n2)C1
InChIInChI=1S/C10H15N3O2/c1-7-11-9(5-10(14)12-7)13-4-3-8(6-13)15-2/h5,8H,3-4,6H2,1-2H3,(H,11,12,14)
InChIKeyGYVTXLYPMZONMR-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.30
Rot. Bonds2

About 4-(3-methoxypyrrolidin-1-yl)-2-methyl-1H-pyrimidin-6-one

4-(3-methoxypyrrolidin-1-yl)-2-methyl-1H-pyrimidin-6-one (PubChem CID 136706901) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 4-(3-methoxypyrrolidin-1-yl)-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3-methoxypyrrolidin-1-yl)-2-methyl-1H-pyrimidin-6-one
PubChem CID136706901
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name4-(3-methoxypyrrolidin-1-yl)-2-methyl-1H-pyrimidin-6-one
SMILESCOC1CCN(c2cc(=O)[nH]c(C)n2)C1
InChIInChI=1S/C10H15N3O2/c1-7-11-9(5-10(14)12-7)13-4-3-8(6-13)15-2/h5,8H,3-4,6H2,1-2H3,(H,11,12,14)
InChIKeyGYVTXLYPMZONMR-UHFFFAOYSA-N
XLogP0.30
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(difluoromethyl)pyrrolidin-1-yl]-2-(methoxymethyl)-1H-pyrimidin-6-one
CID 139019362
2-(hydroxymethyl)-4-pyrrolidin-1-yl-1H-pyrimidin-6-one
CID 136647695
2-methyl-4-(2-pyrrolidin-1-ylethoxy)-1H-pyrimidin-6-one
CID 103241429
2-ethyl-4-(2-pyrrolidin-1-ylethoxy)-1H-pyrimidin-6-one
CID 113792732
2-ethyl-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one
CID 114586317
2-propan-2-yl-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one
CID 114586319
2-methyl-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one
CID 114586323
2-cyclopropyl-4-(3-methoxypyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136706903
4-(3-methoxypyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136706905
2-ethyl-4-(3-methoxypyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136706906
4-(3-methoxypyrrolidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136706907
2-cyclopropyl-4-(3,4-dimethoxypyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136706909

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxypyrrolidin-1-yl)-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(3-methoxypyrrolidin-1-yl)-2-methyl-1H-pyrimidin-6-one (CID 136706901) is 4-(3-methoxypyrrolidin-1-yl)-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3-methoxypyrrolidin-1-yl)-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3-methoxypyrrolidin-1-yl)-2-methyl-1H-pyrimidin-6-one is COC1CCN(c2cc(=O)[nH]c(C)n2)C1.
What is the InChIKey of 4-(3-methoxypyrrolidin-1-yl)-2-methyl-1H-pyrimidin-6-one?
The InChIKey is GYVTXLYPMZONMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-7-11-9(5-10(14)12-7)13-4-3-8(6-13)15-2/h5,8H,3-4,6H2,1-2H3,(H,11,12,14).
What are the key properties of 4-(3-methoxypyrrolidin-1-yl)-2-methyl-1H-pyrimidin-6-one?
4-(3-methoxypyrrolidin-1-yl)-2-methyl-1H-pyrimidin-6-one has a molecular weight of 209.25 g/mol, XLogP of 0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxypyrrolidin-1-yl)-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136706901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).