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

C17H18N4OS — CID 24913630

IUPAC2,5-dimethyl-4-[(2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-oxazole
SMILESCc1nc(CN2CCc3nc(-c4cccs4)ncc3C2)c(C)o1
InChIInChI=1S/C17H18N4OS/c1-11-15(19-12(2)22-11)10-21-6-5-14-13(9-21)8-18-17(20-14)16-4-3-7-23-16/h3-4,7-8H,5-6,9-10H2,1-2H3
InChIKeyOJMSGVKPKLNVNI-UHFFFAOYSA-N
MW326.43 g/mol
LogP3.37
Rot. Bonds3

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

2,5-dimethyl-4-[(2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-oxazole (PubChem CID 24913630) has the molecular formula C17H18N4OS and a molecular weight of 326.43 g/mol. Its IUPAC name is 2,5-dimethyl-4-[(2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-oxazole.

Molecular Properties

Compound Name2,5-dimethyl-4-[(2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-oxazole
PubChem CID24913630
Molecular FormulaC17H18N4OS
Molecular Weight326.43 g/mol
Exact Mass326.12
IUPAC Name2,5-dimethyl-4-[(2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-oxazole
SMILESCc1nc(CN2CCc3nc(-c4cccs4)ncc3C2)c(C)o1
InChIInChI=1S/C17H18N4OS/c1-11-15(19-12(2)22-11)10-21-6-5-14-13(9-21)8-18-17(20-14)16-4-3-7-23-16/h3-4,7-8H,5-6,9-10H2,1-2H3
InChIKeyOJMSGVKPKLNVNI-UHFFFAOYSA-N
XLogP3.37
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-[(2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-oxazole?
The IUPAC name of 2,5-dimethyl-4-[(2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-oxazole (CID 24913630) is 2,5-dimethyl-4-[(2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-oxazole.
What is the SMILES notation for 2,5-dimethyl-4-[(2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-oxazole?
The canonical SMILES for 2,5-dimethyl-4-[(2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-oxazole is Cc1nc(CN2CCc3nc(-c4cccs4)ncc3C2)c(C)o1.
What is the InChIKey of 2,5-dimethyl-4-[(2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-oxazole?
The InChIKey is OJMSGVKPKLNVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4OS/c1-11-15(19-12(2)22-11)10-21-6-5-14-13(9-21)8-18-17(20-14)16-4-3-7-23-16/h3-4,7-8H,5-6,9-10H2,1-2H3.
What are the key properties of 2,5-dimethyl-4-[(2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-oxazole?
2,5-dimethyl-4-[(2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-oxazole has a molecular weight of 326.43 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-[(2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-oxazole is sourced from PubChem (CID 24913630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).