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

C9H13N3O2 — CID 136706905

IUPAC4-(3-methoxypyrrolidin-1-yl)-1H-pyrimidin-6-one
SMILESCOC1CCN(c2cc(=O)[nH]cn2)C1
InChIInChI=1S/C9H13N3O2/c1-14-7-2-3-12(5-7)8-4-9(13)11-6-10-8/h4,6-7H,2-3,5H2,1H3,(H,10,11,13)
InChIKeyWUDPZMOASJSTRZ-UHFFFAOYSA-N
MW195.22 g/mol
LogP-0.00
Rot. Bonds2

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

4-(3-methoxypyrrolidin-1-yl)-1H-pyrimidin-6-one (PubChem CID 136706905) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 4-(3-methoxypyrrolidin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3-methoxypyrrolidin-1-yl)-1H-pyrimidin-6-one
PubChem CID136706905
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name4-(3-methoxypyrrolidin-1-yl)-1H-pyrimidin-6-one
SMILESCOC1CCN(c2cc(=O)[nH]cn2)C1
InChIInChI=1S/C9H13N3O2/c1-14-7-2-3-12(5-7)8-4-9(13)11-6-10-8/h4,6-7H,2-3,5H2,1H3,(H,10,11,13)
InChIKeyWUDPZMOASJSTRZ-UHFFFAOYSA-N
XLogP-0.00
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(R)-6-(Pyrrolidin-3-yloxy)pyrimidin-4-ol hydrochloride
CID 66569893
4-[(3R)-pyrrolidin-3-yl]oxy-1H-pyrimidin-6-one
CID 66569894
4-(2-pyrrolidin-1-ylethoxy)-1H-pyrimidin-6-one
CID 103241431
4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one
CID 115763469
4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one;hydrochloride
CID 118797642
3-Methyl-6-[(1-methylpyrrolidin-3-yl)oxy]-3,4-dihydropyrimidin-4-one
CID 126954693
3-Methyl-6-(pyrrolidin-3-yloxy)-3,4-dihydropyrimidin-4-one
CID 126954694
4-(1-methylpyrrolidin-3-yl)oxy-1H-pyrimidin-6-one
CID 133616956
4-(3-methoxypiperidin-1-yl)-1H-pyrimidin-6-one
CID 136702384
4-(3-methoxypyrrolidin-1-yl)-2-methyl-1H-pyrimidin-6-one
CID 136706901
5-amino-4-(3-methoxypyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136706902
5-methoxy-4-(3-methoxypyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136706904

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxypyrrolidin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 4-(3-methoxypyrrolidin-1-yl)-1H-pyrimidin-6-one (CID 136706905) is 4-(3-methoxypyrrolidin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3-methoxypyrrolidin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3-methoxypyrrolidin-1-yl)-1H-pyrimidin-6-one is COC1CCN(c2cc(=O)[nH]cn2)C1.
What is the InChIKey of 4-(3-methoxypyrrolidin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is WUDPZMOASJSTRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-14-7-2-3-12(5-7)8-4-9(13)11-6-10-8/h4,6-7H,2-3,5H2,1H3,(H,10,11,13).
What are the key properties of 4-(3-methoxypyrrolidin-1-yl)-1H-pyrimidin-6-one?
4-(3-methoxypyrrolidin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 195.22 g/mol, XLogP of -0.00, 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)-1H-pyrimidin-6-one is sourced from PubChem (CID 136706905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).