3-[2-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-oxoethyl]-5,6-dimethylpyrimidin-4-one

C15H17N5O2 — CID 90621036

IUPAC3-[2-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-oxoethyl]-5,6-dimethylpyrimidin-4-one
SMILESCc1ncn(CC(=O)N2CCc3ncncc3C2)c(=O)c1C
InChIInChI=1S/C15H17N5O2/c1-10-11(2)18-9-20(15(10)22)7-14(21)19-4-3-13-12(6-19)5-16-8-17-13/h5,8-9H,3-4,6-7H2,1-2H3
InChIKeyAMDNXTJJTHKUMS-UHFFFAOYSA-N
MW299.33 g/mol
LogP0.24
Rot. Bonds2

About 3-[2-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-oxoethyl]-5,6-dimethylpyrimidin-4-one

3-[2-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-oxoethyl]-5,6-dimethylpyrimidin-4-one (PubChem CID 90621036) has the molecular formula C15H17N5O2 and a molecular weight of 299.33 g/mol. Its IUPAC name is 3-[2-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-oxoethyl]-5,6-dimethylpyrimidin-4-one.

Molecular Properties

Compound Name3-[2-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-oxoethyl]-5,6-dimethylpyrimidin-4-one
PubChem CID90621036
Molecular FormulaC15H17N5O2
Molecular Weight299.33 g/mol
Exact Mass299.14
IUPAC Name3-[2-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-oxoethyl]-5,6-dimethylpyrimidin-4-one
SMILESCc1ncn(CC(=O)N2CCc3ncncc3C2)c(=O)c1C
InChIInChI=1S/C15H17N5O2/c1-10-11(2)18-9-20(15(10)22)7-14(21)19-4-3-13-12(6-19)5-16-8-17-13/h5,8-9H,3-4,6-7H2,1-2H3
InChIKeyAMDNXTJJTHKUMS-UHFFFAOYSA-N
XLogP0.24
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-oxoethyl]-5,6-dimethylpyrimidin-4-one?
The IUPAC name of 3-[2-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-oxoethyl]-5,6-dimethylpyrimidin-4-one (CID 90621036) is 3-[2-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-oxoethyl]-5,6-dimethylpyrimidin-4-one.
What is the SMILES notation for 3-[2-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-oxoethyl]-5,6-dimethylpyrimidin-4-one?
The canonical SMILES for 3-[2-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-oxoethyl]-5,6-dimethylpyrimidin-4-one is Cc1ncn(CC(=O)N2CCc3ncncc3C2)c(=O)c1C.
What is the InChIKey of 3-[2-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-oxoethyl]-5,6-dimethylpyrimidin-4-one?
The InChIKey is AMDNXTJJTHKUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2/c1-10-11(2)18-9-20(15(10)22)7-14(21)19-4-3-13-12(6-19)5-16-8-17-13/h5,8-9H,3-4,6-7H2,1-2H3.
What are the key properties of 3-[2-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-oxoethyl]-5,6-dimethylpyrimidin-4-one?
3-[2-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-oxoethyl]-5,6-dimethylpyrimidin-4-one has a molecular weight of 299.33 g/mol, XLogP of 0.24, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-oxoethyl]-5,6-dimethylpyrimidin-4-one is sourced from PubChem (CID 90621036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).