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

C16H24N4O — CID 110248555

IUPAC4-methyl-8-(2-methylpropyl)-2-pyrrolidin-3-yl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc(C2CCNC2)nc2c1CCC(=O)N2CC(C)C
InChIInChI=1S/C16H24N4O/c1-10(2)9-20-14(21)5-4-13-11(3)18-15(19-16(13)20)12-6-7-17-8-12/h10,12,17H,4-9H2,1-3H3
InChIKeyGAGPMLTYWUWYML-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.80
Rot. Bonds3

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

4-methyl-8-(2-methylpropyl)-2-pyrrolidin-3-yl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (PubChem CID 110248555) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 4-methyl-8-(2-methylpropyl)-2-pyrrolidin-3-yl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name4-methyl-8-(2-methylpropyl)-2-pyrrolidin-3-yl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
PubChem CID110248555
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name4-methyl-8-(2-methylpropyl)-2-pyrrolidin-3-yl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc(C2CCNC2)nc2c1CCC(=O)N2CC(C)C
InChIInChI=1S/C16H24N4O/c1-10(2)9-20-14(21)5-4-13-11(3)18-15(19-16(13)20)12-6-7-17-8-12/h10,12,17H,4-9H2,1-3H3
InChIKeyGAGPMLTYWUWYML-UHFFFAOYSA-N
XLogP1.80
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-8-(2-methylpropyl)-2-pyrrolidin-3-yl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 4-methyl-8-(2-methylpropyl)-2-pyrrolidin-3-yl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (CID 110248555) is 4-methyl-8-(2-methylpropyl)-2-pyrrolidin-3-yl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 4-methyl-8-(2-methylpropyl)-2-pyrrolidin-3-yl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 4-methyl-8-(2-methylpropyl)-2-pyrrolidin-3-yl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is Cc1nc(C2CCNC2)nc2c1CCC(=O)N2CC(C)C.
What is the InChIKey of 4-methyl-8-(2-methylpropyl)-2-pyrrolidin-3-yl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The InChIKey is GAGPMLTYWUWYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-10(2)9-20-14(21)5-4-13-11(3)18-15(19-16(13)20)12-6-7-17-8-12/h10,12,17H,4-9H2,1-3H3.
What are the key properties of 4-methyl-8-(2-methylpropyl)-2-pyrrolidin-3-yl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
4-methyl-8-(2-methylpropyl)-2-pyrrolidin-3-yl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one has a molecular weight of 288.39 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-8-(2-methylpropyl)-2-pyrrolidin-3-yl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 110248555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).