5-methoxy-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one

C9H13N3O3 — CID 114586320

IUPAC5-methoxy-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one
SMILESCOc1c(OC2CCNC2)nc[nH]c1=O
InChIInChI=1S/C9H13N3O3/c1-14-7-8(13)11-5-12-9(7)15-6-2-3-10-4-6/h5-6,10H,2-4H2,1H3,(H,11,12,13)
InChIKeyRQSHFYNPLNUCGL-UHFFFAOYSA-N
MW211.22 g/mol
LogP-0.48
Rot. Bonds3

About 5-methoxy-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one

5-methoxy-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one (PubChem CID 114586320) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 5-methoxy-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methoxy-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one
PubChem CID114586320
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name5-methoxy-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one
SMILESCOc1c(OC2CCNC2)nc[nH]c1=O
InChIInChI=1S/C9H13N3O3/c1-14-7-8(13)11-5-12-9(7)15-6-2-3-10-4-6/h5-6,10H,2-4H2,1H3,(H,11,12,13)
InChIKeyRQSHFYNPLNUCGL-UHFFFAOYSA-N
XLogP-0.48
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methoxy-4-(2-pyrrolidin-3-ylethoxy)-1H-pyrimidin-6-one
CID 114796589
4-(3-ethylcyclohexyl)oxy-5-methoxy-1H-pyrimidin-6-one
CID 103241726
5-iodo-4-[(3S)-piperidin-3-yl]oxy-1H-pyrimidin-6-one
CID 104939644
5-methoxy-4-(oxan-4-ylmethoxy)-1H-pyrimidin-6-one
CID 103241618
5-methoxy-4-[methyl(piperidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136978133
6-methoxy-4-[(3S)-pyrrolidin-3-yl]oxyquinazoline
CID 66751905
5-methoxy-4-(2-methylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 137008133
N-(5-methoxy-4-methyl-6-pyrrolidin-3-yloxy-2-pyridinyl)formamide
CID 156563347
5-methoxy-4-[methyl(piperidin-3-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136805327
2-methyl-3-pyrrolidin-3-yloxypyrazine;hydrochloride
CID 71639334
4-(azetidin-3-ylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136978525
4-iodo-5-methoxy-6-piperidin-4-yloxypyrimidine
CID 88897202

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one?
The IUPAC name of 5-methoxy-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one (CID 114586320) is 5-methoxy-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methoxy-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one?
The canonical SMILES for 5-methoxy-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one is COc1c(OC2CCNC2)nc[nH]c1=O.
What is the InChIKey of 5-methoxy-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one?
The InChIKey is RQSHFYNPLNUCGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-14-7-8(13)11-5-12-9(7)15-6-2-3-10-4-6/h5-6,10H,2-4H2,1H3,(H,11,12,13).
What are the key properties of 5-methoxy-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one?
5-methoxy-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one has a molecular weight of 211.22 g/mol, XLogP of -0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one is sourced from PubChem (CID 114586320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).