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

C13H14N4O2 — CID 72719484

IUPAC7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
SMILESCc1noc(C)c1C(=O)N1CCc2ncncc2C1
InChIInChI=1S/C13H14N4O2/c1-8-12(9(2)19-16-8)13(18)17-4-3-11-10(6-17)5-14-7-15-11/h5,7H,3-4,6H2,1-2H3
InChIKeyCXZINKWYBKINCZ-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.28
Rot. Bonds1

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

7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-(3,5-dimethyl-1,2-oxazol-4-yl)methanone (PubChem CID 72719484) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-(3,5-dimethyl-1,2-oxazol-4-yl)methanone.

Molecular Properties

Compound Name7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
PubChem CID72719484
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
SMILESCc1noc(C)c1C(=O)N1CCc2ncncc2C1
InChIInChI=1S/C13H14N4O2/c1-8-12(9(2)19-16-8)13(18)17-4-3-11-10(6-17)5-14-7-15-11/h5,7H,3-4,6H2,1-2H3
InChIKeyCXZINKWYBKINCZ-UHFFFAOYSA-N
XLogP1.28
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-(3,5-dimethyl-1,2-oxazol-4-yl)methanone?
The IUPAC name of 7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-(3,5-dimethyl-1,2-oxazol-4-yl)methanone (CID 72719484) is 7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-(3,5-dimethyl-1,2-oxazol-4-yl)methanone.
What is the SMILES notation for 7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-(3,5-dimethyl-1,2-oxazol-4-yl)methanone?
The canonical SMILES for 7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-(3,5-dimethyl-1,2-oxazol-4-yl)methanone is Cc1noc(C)c1C(=O)N1CCc2ncncc2C1.
What is the InChIKey of 7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-(3,5-dimethyl-1,2-oxazol-4-yl)methanone?
The InChIKey is CXZINKWYBKINCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-8-12(9(2)19-16-8)13(18)17-4-3-11-10(6-17)5-14-7-15-11/h5,7H,3-4,6H2,1-2H3.
What are the key properties of 7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-(3,5-dimethyl-1,2-oxazol-4-yl)methanone?
7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-(3,5-dimethyl-1,2-oxazol-4-yl)methanone has a molecular weight of 258.28 g/mol, XLogP of 1.28, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-(3,5-dimethyl-1,2-oxazol-4-yl)methanone is sourced from PubChem (CID 72719484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).