4,8-dimethyl-2-pyrrolidin-3-yl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

C13H18N4O — CID 73439379

IUPAC4,8-dimethyl-2-pyrrolidin-3-yl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc(C2CCNC2)nc2c1CCC(=O)N2C
InChIInChI=1S/C13H18N4O/c1-8-10-3-4-11(18)17(2)13(10)16-12(15-8)9-5-6-14-7-9/h9,14H,3-7H2,1-2H3
InChIKeyRSMVFFHZYCXWML-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.77
Rot. Bonds1

About 4,8-dimethyl-2-pyrrolidin-3-yl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

4,8-dimethyl-2-pyrrolidin-3-yl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (PubChem CID 73439379) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 4,8-dimethyl-2-pyrrolidin-3-yl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name4,8-dimethyl-2-pyrrolidin-3-yl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
PubChem CID73439379
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name4,8-dimethyl-2-pyrrolidin-3-yl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc(C2CCNC2)nc2c1CCC(=O)N2C
InChIInChI=1S/C13H18N4O/c1-8-10-3-4-11(18)17(2)13(10)16-12(15-8)9-5-6-14-7-9/h9,14H,3-7H2,1-2H3
InChIKeyRSMVFFHZYCXWML-UHFFFAOYSA-N
XLogP0.77
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,8-dimethyl-2-pyrrolidin-3-yl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 4,8-dimethyl-2-pyrrolidin-3-yl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (CID 73439379) is 4,8-dimethyl-2-pyrrolidin-3-yl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 4,8-dimethyl-2-pyrrolidin-3-yl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 4,8-dimethyl-2-pyrrolidin-3-yl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is Cc1nc(C2CCNC2)nc2c1CCC(=O)N2C.
What is the InChIKey of 4,8-dimethyl-2-pyrrolidin-3-yl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The InChIKey is RSMVFFHZYCXWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-8-10-3-4-11(18)17(2)13(10)16-12(15-8)9-5-6-14-7-9/h9,14H,3-7H2,1-2H3.
What are the key properties of 4,8-dimethyl-2-pyrrolidin-3-yl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
4,8-dimethyl-2-pyrrolidin-3-yl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one has a molecular weight of 246.31 g/mol, XLogP of 0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-dimethyl-2-pyrrolidin-3-yl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 73439379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).