2-[1-(2-methoxyacetyl)pyrrolidin-2-yl]-4-methyl-8-(2-methylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

C19H28N4O3 — CID 110260778

IUPAC2-[1-(2-methoxyacetyl)pyrrolidin-2-yl]-4-methyl-8-(2-methylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCOCC(=O)N1CCCC1c1nc(C)c2c(n1)N(CC(C)C)C(=O)CC2
InChIInChI=1S/C19H28N4O3/c1-12(2)10-23-16(24)8-7-14-13(3)20-18(21-19(14)23)15-6-5-9-22(15)17(25)11-26-4/h12,15H,5-11H2,1-4H3
InChIKeyDSORTIDKTYJFEL-UHFFFAOYSA-N
MW360.46 g/mol
LogP2.03
Rot. Bonds5

About 2-[1-(2-methoxyacetyl)pyrrolidin-2-yl]-4-methyl-8-(2-methylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

2-[1-(2-methoxyacetyl)pyrrolidin-2-yl]-4-methyl-8-(2-methylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (PubChem CID 110260778) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-[1-(2-methoxyacetyl)pyrrolidin-2-yl]-4-methyl-8-(2-methylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-[1-(2-methoxyacetyl)pyrrolidin-2-yl]-4-methyl-8-(2-methylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
PubChem CID110260778
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC Name2-[1-(2-methoxyacetyl)pyrrolidin-2-yl]-4-methyl-8-(2-methylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCOCC(=O)N1CCCC1c1nc(C)c2c(n1)N(CC(C)C)C(=O)CC2
InChIInChI=1S/C19H28N4O3/c1-12(2)10-23-16(24)8-7-14-13(3)20-18(21-19(14)23)15-6-5-9-22(15)17(25)11-26-4/h12,15H,5-11H2,1-4H3
InChIKeyDSORTIDKTYJFEL-UHFFFAOYSA-N
XLogP2.03
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methoxyacetyl)pyrrolidin-2-yl]-4-methyl-8-(2-methylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-[1-(2-methoxyacetyl)pyrrolidin-2-yl]-4-methyl-8-(2-methylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (CID 110260778) is 2-[1-(2-methoxyacetyl)pyrrolidin-2-yl]-4-methyl-8-(2-methylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-[1-(2-methoxyacetyl)pyrrolidin-2-yl]-4-methyl-8-(2-methylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-[1-(2-methoxyacetyl)pyrrolidin-2-yl]-4-methyl-8-(2-methylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is COCC(=O)N1CCCC1c1nc(C)c2c(n1)N(CC(C)C)C(=O)CC2.
What is the InChIKey of 2-[1-(2-methoxyacetyl)pyrrolidin-2-yl]-4-methyl-8-(2-methylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The InChIKey is DSORTIDKTYJFEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3/c1-12(2)10-23-16(24)8-7-14-13(3)20-18(21-19(14)23)15-6-5-9-22(15)17(25)11-26-4/h12,15H,5-11H2,1-4H3.
What are the key properties of 2-[1-(2-methoxyacetyl)pyrrolidin-2-yl]-4-methyl-8-(2-methylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
2-[1-(2-methoxyacetyl)pyrrolidin-2-yl]-4-methyl-8-(2-methylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one has a molecular weight of 360.46 g/mol, XLogP of 2.03, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methoxyacetyl)pyrrolidin-2-yl]-4-methyl-8-(2-methylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 110260778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).