5-[(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-methyl-1,3-thiazole

C13H16N4OS — CID 86773157

IUPAC5-[(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-methyl-1,3-thiazole
SMILESCOc1ncnc2c1CN(Cc1cnc(C)s1)CC2
InChIInChI=1S/C13H16N4OS/c1-9-14-5-10(19-9)6-17-4-3-12-11(7-17)13(18-2)16-8-15-12/h5,8H,3-4,6-7H2,1-2H3
InChIKeyWADQYWUWJCUTMP-UHFFFAOYSA-N
MW276.37 g/mol
LogP1.81
Rot. Bonds3

About 5-[(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-methyl-1,3-thiazole

5-[(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-methyl-1,3-thiazole (PubChem CID 86773157) has the molecular formula C13H16N4OS and a molecular weight of 276.37 g/mol. Its IUPAC name is 5-[(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-[(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-methyl-1,3-thiazole
PubChem CID86773157
Molecular FormulaC13H16N4OS
Molecular Weight276.37 g/mol
Exact Mass276.10
IUPAC Name5-[(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-methyl-1,3-thiazole
SMILESCOc1ncnc2c1CN(Cc1cnc(C)s1)CC2
InChIInChI=1S/C13H16N4OS/c1-9-14-5-10(19-9)6-17-4-3-12-11(7-17)13(18-2)16-8-15-12/h5,8H,3-4,6-7H2,1-2H3
InChIKeyWADQYWUWJCUTMP-UHFFFAOYSA-N
XLogP1.81
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-methyl-1,3-thiazole?
The IUPAC name of 5-[(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-methyl-1,3-thiazole (CID 86773157) is 5-[(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 5-[(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 5-[(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-methyl-1,3-thiazole is COc1ncnc2c1CN(Cc1cnc(C)s1)CC2.
What is the InChIKey of 5-[(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-methyl-1,3-thiazole?
The InChIKey is WADQYWUWJCUTMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-9-14-5-10(19-9)6-17-4-3-12-11(7-17)13(18-2)16-8-15-12/h5,8H,3-4,6-7H2,1-2H3.
What are the key properties of 5-[(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-methyl-1,3-thiazole?
5-[(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-methyl-1,3-thiazole has a molecular weight of 276.37 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 86773157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).