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

C18H20N4OS — CID 56781674

IUPAC4-[(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-5-methyl-2-thiophen-3-yl-1,3-oxazole
SMILESCCc1ncc2c(n1)CN(Cc1nc(-c3ccsc3)oc1C)CC2
InChIInChI=1S/C18H20N4OS/c1-3-17-19-8-13-4-6-22(10-16(13)20-17)9-15-12(2)23-18(21-15)14-5-7-24-11-14/h5,7-8,11H,3-4,6,9-10H2,1-2H3
InChIKeyNMMGYWKKASTESX-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.62
Rot. Bonds4

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

4-[(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-5-methyl-2-thiophen-3-yl-1,3-oxazole (PubChem CID 56781674) has the molecular formula C18H20N4OS and a molecular weight of 340.45 g/mol. Its IUPAC name is 4-[(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-5-methyl-2-thiophen-3-yl-1,3-oxazole.

Molecular Properties

Compound Name4-[(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-5-methyl-2-thiophen-3-yl-1,3-oxazole
PubChem CID56781674
Molecular FormulaC18H20N4OS
Molecular Weight340.45 g/mol
Exact Mass340.14
IUPAC Name4-[(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-5-methyl-2-thiophen-3-yl-1,3-oxazole
SMILESCCc1ncc2c(n1)CN(Cc1nc(-c3ccsc3)oc1C)CC2
InChIInChI=1S/C18H20N4OS/c1-3-17-19-8-13-4-6-22(10-16(13)20-17)9-15-12(2)23-18(21-15)14-5-7-24-11-14/h5,7-8,11H,3-4,6,9-10H2,1-2H3
InChIKeyNMMGYWKKASTESX-UHFFFAOYSA-N
XLogP3.62
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-5-methyl-2-thiophen-3-yl-1,3-oxazole?
The IUPAC name of 4-[(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-5-methyl-2-thiophen-3-yl-1,3-oxazole (CID 56781674) is 4-[(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-5-methyl-2-thiophen-3-yl-1,3-oxazole.
What is the SMILES notation for 4-[(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-5-methyl-2-thiophen-3-yl-1,3-oxazole?
The canonical SMILES for 4-[(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-5-methyl-2-thiophen-3-yl-1,3-oxazole is CCc1ncc2c(n1)CN(Cc1nc(-c3ccsc3)oc1C)CC2.
What is the InChIKey of 4-[(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-5-methyl-2-thiophen-3-yl-1,3-oxazole?
The InChIKey is NMMGYWKKASTESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4OS/c1-3-17-19-8-13-4-6-22(10-16(13)20-17)9-15-12(2)23-18(21-15)14-5-7-24-11-14/h5,7-8,11H,3-4,6,9-10H2,1-2H3.
What are the key properties of 4-[(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-5-methyl-2-thiophen-3-yl-1,3-oxazole?
4-[(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-5-methyl-2-thiophen-3-yl-1,3-oxazole has a molecular weight of 340.45 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-5-methyl-2-thiophen-3-yl-1,3-oxazole is sourced from PubChem (CID 56781674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).