3-methylsulfanyl-1-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)propan-1-one

C15H22N4O2S — CID 70706686

IUPAC3-methylsulfanyl-1-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)propan-1-one
SMILESCSCCC(=O)N1CCc2c(ncnc2N2CCOCC2)C1
InChIInChI=1S/C15H22N4O2S/c1-22-9-3-14(20)19-4-2-12-13(10-19)16-11-17-15(12)18-5-7-21-8-6-18/h11H,2-10H2,1H3
InChIKeyUBQFCBMGOOVBQP-UHFFFAOYSA-N
MW322.43 g/mol
LogP0.95
Rot. Bonds4

About 3-methylsulfanyl-1-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)propan-1-one

3-methylsulfanyl-1-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)propan-1-one (PubChem CID 70706686) has the molecular formula C15H22N4O2S and a molecular weight of 322.43 g/mol. Its IUPAC name is 3-methylsulfanyl-1-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)propan-1-one.

Molecular Properties

Compound Name3-methylsulfanyl-1-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)propan-1-one
PubChem CID70706686
Molecular FormulaC15H22N4O2S
Molecular Weight322.43 g/mol
Exact Mass322.15
IUPAC Name3-methylsulfanyl-1-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)propan-1-one
SMILESCSCCC(=O)N1CCc2c(ncnc2N2CCOCC2)C1
InChIInChI=1S/C15H22N4O2S/c1-22-9-3-14(20)19-4-2-12-13(10-19)16-11-17-15(12)18-5-7-21-8-6-18/h11H,2-10H2,1H3
InChIKeyUBQFCBMGOOVBQP-UHFFFAOYSA-N
XLogP0.95
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanyl-1-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)propan-1-one?
The IUPAC name of 3-methylsulfanyl-1-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)propan-1-one (CID 70706686) is 3-methylsulfanyl-1-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)propan-1-one.
What is the SMILES notation for 3-methylsulfanyl-1-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)propan-1-one?
The canonical SMILES for 3-methylsulfanyl-1-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)propan-1-one is CSCCC(=O)N1CCc2c(ncnc2N2CCOCC2)C1.
What is the InChIKey of 3-methylsulfanyl-1-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)propan-1-one?
The InChIKey is UBQFCBMGOOVBQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2S/c1-22-9-3-14(20)19-4-2-12-13(10-19)16-11-17-15(12)18-5-7-21-8-6-18/h11H,2-10H2,1H3.
What are the key properties of 3-methylsulfanyl-1-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)propan-1-one?
3-methylsulfanyl-1-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)propan-1-one has a molecular weight of 322.43 g/mol, XLogP of 0.95, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-1-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)propan-1-one is sourced from PubChem (CID 70706686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).