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

C13H19ClN4O — CID 118741766

IUPAC4,8-dimethyl-2-pyrrolidin-3-yl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one;hydrochloride
SMILESCc1nc(C2CCNC2)nc2c1CCC(=O)N2C.Cl
InChIInChI=1S/C13H18N4O.ClH/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;1H
InChIKeyMJPJCSYRTMDYEH-UHFFFAOYSA-N
MW282.77 g/mol
LogP1.19
Rot. Bonds1

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

4,8-dimethyl-2-pyrrolidin-3-yl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one;hydrochloride (PubChem CID 118741766) has the molecular formula C13H19ClN4O and a molecular weight of 282.77 g/mol. Its IUPAC name is 4,8-dimethyl-2-pyrrolidin-3-yl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one;hydrochloride.

Molecular Properties

Compound Name4,8-dimethyl-2-pyrrolidin-3-yl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one;hydrochloride
PubChem CID118741766
Molecular FormulaC13H19ClN4O
Molecular Weight282.77 g/mol
Exact Mass282.12
IUPAC Name4,8-dimethyl-2-pyrrolidin-3-yl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one;hydrochloride
SMILESCc1nc(C2CCNC2)nc2c1CCC(=O)N2C.Cl
InChIInChI=1S/C13H18N4O.ClH/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;1H
InChIKeyMJPJCSYRTMDYEH-UHFFFAOYSA-N
XLogP1.19
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 51.19
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;hydrochloride?
The IUPAC name of 4,8-dimethyl-2-pyrrolidin-3-yl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one;hydrochloride (CID 118741766) is 4,8-dimethyl-2-pyrrolidin-3-yl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one;hydrochloride.
What is the SMILES notation for 4,8-dimethyl-2-pyrrolidin-3-yl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one;hydrochloride?
The canonical SMILES for 4,8-dimethyl-2-pyrrolidin-3-yl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one;hydrochloride is Cc1nc(C2CCNC2)nc2c1CCC(=O)N2C.Cl.
What is the InChIKey of 4,8-dimethyl-2-pyrrolidin-3-yl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one;hydrochloride?
The InChIKey is MJPJCSYRTMDYEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O.ClH/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;1H.
What are the key properties of 4,8-dimethyl-2-pyrrolidin-3-yl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one;hydrochloride?
4,8-dimethyl-2-pyrrolidin-3-yl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one;hydrochloride has a molecular weight of 282.77 g/mol, XLogP of 1.19, 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;hydrochloride is sourced from PubChem (CID 118741766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).