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

C11H12N4O — CID 176625723

IUPAC4-(7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)-1,3-oxazole
SMILESCN1CCc2cnc(-c3cocn3)nc2C1
InChIInChI=1S/C11H12N4O/c1-15-3-2-8-4-12-11(14-9(8)5-15)10-6-16-7-13-10/h4,6-7H,2-3,5H2,1H3
InChIKeyRZHXEZVQLNGUSF-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.12
Rot. Bonds1

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

4-(7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)-1,3-oxazole (PubChem CID 176625723) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is 4-(7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)-1,3-oxazole.

Molecular Properties

Compound Name4-(7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)-1,3-oxazole
PubChem CID176625723
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC Name4-(7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)-1,3-oxazole
SMILESCN1CCc2cnc(-c3cocn3)nc2C1
InChIInChI=1S/C11H12N4O/c1-15-3-2-8-4-12-11(14-9(8)5-15)10-6-16-7-13-10/h4,6-7H,2-3,5H2,1H3
InChIKeyRZHXEZVQLNGUSF-UHFFFAOYSA-N
XLogP1.12
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)-1,3-oxazole?
The IUPAC name of 4-(7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)-1,3-oxazole (CID 176625723) is 4-(7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)-1,3-oxazole.
What is the SMILES notation for 4-(7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)-1,3-oxazole?
The canonical SMILES for 4-(7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)-1,3-oxazole is CN1CCc2cnc(-c3cocn3)nc2C1.
What is the InChIKey of 4-(7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)-1,3-oxazole?
The InChIKey is RZHXEZVQLNGUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c1-15-3-2-8-4-12-11(14-9(8)5-15)10-6-16-7-13-10/h4,6-7H,2-3,5H2,1H3.
What are the key properties of 4-(7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)-1,3-oxazole?
4-(7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)-1,3-oxazole has a molecular weight of 216.24 g/mol, XLogP of 1.12, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)-1,3-oxazole is sourced from PubChem (CID 176625723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).