4-(3,4-dimethoxypyrrolidin-1-yl)-5-methoxy-1H-pyrimidin-6-one

C11H17N3O4 — CID 136706910

IUPAC4-(3,4-dimethoxypyrrolidin-1-yl)-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(N2CC(OC)C(OC)C2)nc[nH]c1=O
InChIInChI=1S/C11H17N3O4/c1-16-7-4-14(5-8(7)17-2)10-9(18-3)11(15)13-6-12-10/h6-8H,4-5H2,1-3H3,(H,12,13,15)
InChIKeyNTPVZPOPOWGNRV-UHFFFAOYSA-N
MW255.27 g/mol
LogP-0.37
Rot. Bonds4

About 4-(3,4-dimethoxypyrrolidin-1-yl)-5-methoxy-1H-pyrimidin-6-one

4-(3,4-dimethoxypyrrolidin-1-yl)-5-methoxy-1H-pyrimidin-6-one (PubChem CID 136706910) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is 4-(3,4-dimethoxypyrrolidin-1-yl)-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3,4-dimethoxypyrrolidin-1-yl)-5-methoxy-1H-pyrimidin-6-one
PubChem CID136706910
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Name4-(3,4-dimethoxypyrrolidin-1-yl)-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(N2CC(OC)C(OC)C2)nc[nH]c1=O
InChIInChI=1S/C11H17N3O4/c1-16-7-4-14(5-8(7)17-2)10-9(18-3)11(15)13-6-12-10/h6-8H,4-5H2,1-3H3,(H,12,13,15)
InChIKeyNTPVZPOPOWGNRV-UHFFFAOYSA-N
XLogP-0.37
TPSA76.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxypyrrolidin-1-yl)-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-(3,4-dimethoxypyrrolidin-1-yl)-5-methoxy-1H-pyrimidin-6-one (CID 136706910) is 4-(3,4-dimethoxypyrrolidin-1-yl)-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3,4-dimethoxypyrrolidin-1-yl)-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3,4-dimethoxypyrrolidin-1-yl)-5-methoxy-1H-pyrimidin-6-one is COc1c(N2CC(OC)C(OC)C2)nc[nH]c1=O.
What is the InChIKey of 4-(3,4-dimethoxypyrrolidin-1-yl)-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is NTPVZPOPOWGNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4/c1-16-7-4-14(5-8(7)17-2)10-9(18-3)11(15)13-6-12-10/h6-8H,4-5H2,1-3H3,(H,12,13,15).
What are the key properties of 4-(3,4-dimethoxypyrrolidin-1-yl)-5-methoxy-1H-pyrimidin-6-one?
4-(3,4-dimethoxypyrrolidin-1-yl)-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 255.27 g/mol, XLogP of -0.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxypyrrolidin-1-yl)-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 136706910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).