3-(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)pyrazine-2-carbonitrile

C13H12N6O — CID 133284845

IUPAC3-(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)pyrazine-2-carbonitrile
SMILESCOc1ncnc2c1CN(c1nccnc1C#N)CC2
InChIInChI=1S/C13H12N6O/c1-20-13-9-7-19(5-2-10(9)17-8-18-13)12-11(6-14)15-3-4-16-12/h3-4,8H,2,5,7H2,1H3
InChIKeyOIFBPABHLQAJKZ-UHFFFAOYSA-N
MW268.28 g/mol
LogP0.71
Rot. Bonds2

About 3-(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)pyrazine-2-carbonitrile

3-(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)pyrazine-2-carbonitrile (PubChem CID 133284845) has the molecular formula C13H12N6O and a molecular weight of 268.28 g/mol. Its IUPAC name is 3-(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)pyrazine-2-carbonitrile
PubChem CID133284845
Molecular FormulaC13H12N6O
Molecular Weight268.28 g/mol
Exact Mass268.11
IUPAC Name3-(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)pyrazine-2-carbonitrile
SMILESCOc1ncnc2c1CN(c1nccnc1C#N)CC2
InChIInChI=1S/C13H12N6O/c1-20-13-9-7-19(5-2-10(9)17-8-18-13)12-11(6-14)15-3-4-16-12/h3-4,8H,2,5,7H2,1H3
InChIKeyOIFBPABHLQAJKZ-UHFFFAOYSA-N
XLogP0.71
TPSA87.82 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)pyrazine-2-carbonitrile?
The IUPAC name of 3-(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)pyrazine-2-carbonitrile (CID 133284845) is 3-(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)pyrazine-2-carbonitrile.
What is the SMILES notation for 3-(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)pyrazine-2-carbonitrile?
The canonical SMILES for 3-(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)pyrazine-2-carbonitrile is COc1ncnc2c1CN(c1nccnc1C#N)CC2.
What is the InChIKey of 3-(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)pyrazine-2-carbonitrile?
The InChIKey is OIFBPABHLQAJKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6O/c1-20-13-9-7-19(5-2-10(9)17-8-18-13)12-11(6-14)15-3-4-16-12/h3-4,8H,2,5,7H2,1H3.
What are the key properties of 3-(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)pyrazine-2-carbonitrile?
3-(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)pyrazine-2-carbonitrile has a molecular weight of 268.28 g/mol, XLogP of 0.71, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)pyrazine-2-carbonitrile is sourced from PubChem (CID 133284845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).