5,7-dimethyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3H-pyrido[2,3-d]pyrimidin-4-one

C15H18N4O3S — CID 135406328

IUPAC5,7-dimethyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESCc1cc(C)c2c(=O)[nH]c(SCC(=O)N3CCOCC3)nc2n1
InChIInChI=1S/C15H18N4O3S/c1-9-7-10(2)16-13-12(9)14(21)18-15(17-13)23-8-11(20)19-3-5-22-6-4-19/h7H,3-6,8H2,1-2H3,(H,16,17,18,21)
InChIKeyUIEHFGSXGIHTCE-UHFFFAOYSA-N
MW334.40 g/mol
LogP0.89
Rot. Bonds3

About 5,7-dimethyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3H-pyrido[2,3-d]pyrimidin-4-one

5,7-dimethyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3H-pyrido[2,3-d]pyrimidin-4-one (PubChem CID 135406328) has the molecular formula C15H18N4O3S and a molecular weight of 334.40 g/mol. Its IUPAC name is 5,7-dimethyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3H-pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5,7-dimethyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3H-pyrido[2,3-d]pyrimidin-4-one
PubChem CID135406328
Molecular FormulaC15H18N4O3S
Molecular Weight334.40 g/mol
Exact Mass334.11
IUPAC Name5,7-dimethyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESCc1cc(C)c2c(=O)[nH]c(SCC(=O)N3CCOCC3)nc2n1
InChIInChI=1S/C15H18N4O3S/c1-9-7-10(2)16-13-12(9)14(21)18-15(17-13)23-8-11(20)19-3-5-22-6-4-19/h7H,3-6,8H2,1-2H3,(H,16,17,18,21)
InChIKeyUIEHFGSXGIHTCE-UHFFFAOYSA-N
XLogP0.89
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3H-pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 5,7-dimethyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3H-pyrido[2,3-d]pyrimidin-4-one (CID 135406328) is 5,7-dimethyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3H-pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5,7-dimethyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3H-pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5,7-dimethyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3H-pyrido[2,3-d]pyrimidin-4-one is Cc1cc(C)c2c(=O)[nH]c(SCC(=O)N3CCOCC3)nc2n1.
What is the InChIKey of 5,7-dimethyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3H-pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is UIEHFGSXGIHTCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3S/c1-9-7-10(2)16-13-12(9)14(21)18-15(17-13)23-8-11(20)19-3-5-22-6-4-19/h7H,3-6,8H2,1-2H3,(H,16,17,18,21).
What are the key properties of 5,7-dimethyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3H-pyrido[2,3-d]pyrimidin-4-one?
5,7-dimethyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3H-pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 334.40 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3H-pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 135406328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).