8-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

C15H18N4O2 — CID 53193750

IUPAC8-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCc1ncnc2c1CCC(=O)N2CCc1c(C)noc1C
InChIInChI=1S/C15H18N4O2/c1-9-13-4-5-14(20)19(15(13)17-8-16-9)7-6-12-10(2)18-21-11(12)3/h8H,4-7H2,1-3H3
InChIKeyUXZCOPQQCZITQN-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.91
Rot. Bonds3

About 8-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

8-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (PubChem CID 53193750) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 8-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
PubChem CID53193750
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name8-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCc1ncnc2c1CCC(=O)N2CCc1c(C)noc1C
InChIInChI=1S/C15H18N4O2/c1-9-13-4-5-14(20)19(15(13)17-8-16-9)7-6-12-10(2)18-21-11(12)3/h8H,4-7H2,1-3H3
InChIKeyUXZCOPQQCZITQN-UHFFFAOYSA-N
XLogP1.91
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (CID 53193750) is 8-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is Cc1ncnc2c1CCC(=O)N2CCc1c(C)noc1C.
What is the InChIKey of 8-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The InChIKey is UXZCOPQQCZITQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-9-13-4-5-14(20)19(15(13)17-8-16-9)7-6-12-10(2)18-21-11(12)3/h8H,4-7H2,1-3H3.
What are the key properties of 8-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
8-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one has a molecular weight of 286.33 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 53193750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).