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

C13H16N4S — CID 24909120

IUPAC4-methyl-2-[(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazole
SMILESCc1csc(CN2CCc3nc(C)ncc3C2)n1
InChIInChI=1S/C13H16N4S/c1-9-8-18-13(15-9)7-17-4-3-12-11(6-17)5-14-10(2)16-12/h5,8H,3-4,6-7H2,1-2H3
InChIKeyGDWLLSJSUBQDIZ-UHFFFAOYSA-N
MW260.37 g/mol
LogP2.11
Rot. Bonds2

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

4-methyl-2-[(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazole (PubChem CID 24909120) has the molecular formula C13H16N4S and a molecular weight of 260.37 g/mol. Its IUPAC name is 4-methyl-2-[(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-[(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazole
PubChem CID24909120
Molecular FormulaC13H16N4S
Molecular Weight260.37 g/mol
Exact Mass260.11
IUPAC Name4-methyl-2-[(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazole
SMILESCc1csc(CN2CCc3nc(C)ncc3C2)n1
InChIInChI=1S/C13H16N4S/c1-9-8-18-13(15-9)7-17-4-3-12-11(6-17)5-14-10(2)16-12/h5,8H,3-4,6-7H2,1-2H3
InChIKeyGDWLLSJSUBQDIZ-UHFFFAOYSA-N
XLogP2.11
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.37
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazole?
The IUPAC name of 4-methyl-2-[(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazole (CID 24909120) is 4-methyl-2-[(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-[(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazole?
The canonical SMILES for 4-methyl-2-[(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazole is Cc1csc(CN2CCc3nc(C)ncc3C2)n1.
What is the InChIKey of 4-methyl-2-[(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazole?
The InChIKey is GDWLLSJSUBQDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4S/c1-9-8-18-13(15-9)7-17-4-3-12-11(6-17)5-14-10(2)16-12/h5,8H,3-4,6-7H2,1-2H3.
What are the key properties of 4-methyl-2-[(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazole?
4-methyl-2-[(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazole has a molecular weight of 260.37 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 24909120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).