1-(3,5-dimethoxyphenyl)-3-[[2-(hydroxymethyl)-6-methylpyrimidin-4-yl]-methylamino]pyrrolidin-2-one

C19H24N4O4 — CID 138998986

IUPAC1-(3,5-dimethoxyphenyl)-3-[[2-(hydroxymethyl)-6-methylpyrimidin-4-yl]-methylamino]pyrrolidin-2-one
SMILESCOc1cc(OC)cc(N2CCC(N(C)c3cc(C)nc(CO)n3)C2=O)c1
InChIInChI=1S/C19H24N4O4/c1-12-7-18(21-17(11-24)20-12)22(2)16-5-6-23(19(16)25)13-8-14(26-3)10-15(9-13)27-4/h7-10,16,24H,5-6,11H2,1-4H3
InChIKeyDPKSHIHVXBJSRH-UHFFFAOYSA-N
MW372.43 g/mol
LogP1.54
Rot. Bonds6

About 1-(3,5-dimethoxyphenyl)-3-[[2-(hydroxymethyl)-6-methylpyrimidin-4-yl]-methylamino]pyrrolidin-2-one

1-(3,5-dimethoxyphenyl)-3-[[2-(hydroxymethyl)-6-methylpyrimidin-4-yl]-methylamino]pyrrolidin-2-one (PubChem CID 138998986) has the molecular formula C19H24N4O4 and a molecular weight of 372.43 g/mol. Its IUPAC name is 1-(3,5-dimethoxyphenyl)-3-[[2-(hydroxymethyl)-6-methylpyrimidin-4-yl]-methylamino]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3,5-dimethoxyphenyl)-3-[[2-(hydroxymethyl)-6-methylpyrimidin-4-yl]-methylamino]pyrrolidin-2-one
PubChem CID138998986
Molecular FormulaC19H24N4O4
Molecular Weight372.43 g/mol
Exact Mass372.18
IUPAC Name1-(3,5-dimethoxyphenyl)-3-[[2-(hydroxymethyl)-6-methylpyrimidin-4-yl]-methylamino]pyrrolidin-2-one
SMILESCOc1cc(OC)cc(N2CCC(N(C)c3cc(C)nc(CO)n3)C2=O)c1
InChIInChI=1S/C19H24N4O4/c1-12-7-18(21-17(11-24)20-12)22(2)16-5-6-23(19(16)25)13-8-14(26-3)10-15(9-13)27-4/h7-10,16,24H,5-6,11H2,1-4H3
InChIKeyDPKSHIHVXBJSRH-UHFFFAOYSA-N
XLogP1.54
TPSA88.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxyphenyl)-3-[[2-(hydroxymethyl)-6-methylpyrimidin-4-yl]-methylamino]pyrrolidin-2-one?
The IUPAC name of 1-(3,5-dimethoxyphenyl)-3-[[2-(hydroxymethyl)-6-methylpyrimidin-4-yl]-methylamino]pyrrolidin-2-one (CID 138998986) is 1-(3,5-dimethoxyphenyl)-3-[[2-(hydroxymethyl)-6-methylpyrimidin-4-yl]-methylamino]pyrrolidin-2-one.
What is the SMILES notation for 1-(3,5-dimethoxyphenyl)-3-[[2-(hydroxymethyl)-6-methylpyrimidin-4-yl]-methylamino]pyrrolidin-2-one?
The canonical SMILES for 1-(3,5-dimethoxyphenyl)-3-[[2-(hydroxymethyl)-6-methylpyrimidin-4-yl]-methylamino]pyrrolidin-2-one is COc1cc(OC)cc(N2CCC(N(C)c3cc(C)nc(CO)n3)C2=O)c1.
What is the InChIKey of 1-(3,5-dimethoxyphenyl)-3-[[2-(hydroxymethyl)-6-methylpyrimidin-4-yl]-methylamino]pyrrolidin-2-one?
The InChIKey is DPKSHIHVXBJSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4/c1-12-7-18(21-17(11-24)20-12)22(2)16-5-6-23(19(16)25)13-8-14(26-3)10-15(9-13)27-4/h7-10,16,24H,5-6,11H2,1-4H3.
What are the key properties of 1-(3,5-dimethoxyphenyl)-3-[[2-(hydroxymethyl)-6-methylpyrimidin-4-yl]-methylamino]pyrrolidin-2-one?
1-(3,5-dimethoxyphenyl)-3-[[2-(hydroxymethyl)-6-methylpyrimidin-4-yl]-methylamino]pyrrolidin-2-one has a molecular weight of 372.43 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxyphenyl)-3-[[2-(hydroxymethyl)-6-methylpyrimidin-4-yl]-methylamino]pyrrolidin-2-one is sourced from PubChem (CID 138998986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).