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

C10H15N3O3 — CID 136706904

IUPAC5-methoxy-4-(3-methoxypyrrolidin-1-yl)-1H-pyrimidin-6-one
SMILESCOc1c(N2CCC(OC)C2)nc[nH]c1=O
InChIInChI=1S/C10H15N3O3/c1-15-7-3-4-13(5-7)9-8(16-2)10(14)12-6-11-9/h6-7H,3-5H2,1-2H3,(H,11,12,14)
InChIKeyPXTACLJMGJDMHI-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.00
Rot. Bonds3

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

5-methoxy-4-(3-methoxypyrrolidin-1-yl)-1H-pyrimidin-6-one (PubChem CID 136706904) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 5-methoxy-4-(3-methoxypyrrolidin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methoxy-4-(3-methoxypyrrolidin-1-yl)-1H-pyrimidin-6-one
PubChem CID136706904
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name5-methoxy-4-(3-methoxypyrrolidin-1-yl)-1H-pyrimidin-6-one
SMILESCOc1c(N2CCC(OC)C2)nc[nH]c1=O
InChIInChI=1S/C10H15N3O3/c1-15-7-3-4-13(5-7)9-8(16-2)10(14)12-6-11-9/h6-7H,3-5H2,1-2H3,(H,11,12,14)
InChIKeyPXTACLJMGJDMHI-UHFFFAOYSA-N
XLogP0.00
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methoxy-4-[methyl(propyl)amino]-1H-pyrimidin-6-one
CID 137009086
5-methoxy-4-(2-pyrrolidin-1-ylethoxy)-1H-pyrimidin-6-one
CID 103241428
5-methoxy-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one
CID 114586320
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
5-methoxy-4-(propylamino)-1H-pyrimidin-6-one
CID 136294603
5-methoxy-4-[(3-methoxycyclobutyl)amino]-1H-pyrimidin-6-one
CID 136696635
5-amino-4-(3-methoxypyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136706902
4-(3-methoxypyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136706905
4-(3,4-dimethoxypyrrolidin-1-yl)-5-methoxy-1H-pyrimidin-6-one
CID 136706910
4-(3,4-dimethoxypyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136706911
4-[3-(diethylamino)propyl-ethylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136752208

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-(3-methoxypyrrolidin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-methoxy-4-(3-methoxypyrrolidin-1-yl)-1H-pyrimidin-6-one (CID 136706904) is 5-methoxy-4-(3-methoxypyrrolidin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methoxy-4-(3-methoxypyrrolidin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-methoxy-4-(3-methoxypyrrolidin-1-yl)-1H-pyrimidin-6-one is COc1c(N2CCC(OC)C2)nc[nH]c1=O.
What is the InChIKey of 5-methoxy-4-(3-methoxypyrrolidin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is PXTACLJMGJDMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-15-7-3-4-13(5-7)9-8(16-2)10(14)12-6-11-9/h6-7H,3-5H2,1-2H3,(H,11,12,14).
What are the key properties of 5-methoxy-4-(3-methoxypyrrolidin-1-yl)-1H-pyrimidin-6-one?
5-methoxy-4-(3-methoxypyrrolidin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 225.25 g/mol, XLogP of 0.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-(3-methoxypyrrolidin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136706904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).