4-methoxy-6-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C13H14N4O — CID 66871329

IUPAC4-methoxy-6-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCOc1ncnc2c1CN(c1ccccn1)CC2
InChIInChI=1S/C13H14N4O/c1-18-13-10-8-17(12-4-2-3-6-14-12)7-5-11(10)15-9-16-13/h2-4,6,9H,5,7-8H2,1H3
InChIKeyNCPOZYMGRUKHQG-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.44
Rot. Bonds2

About 4-methoxy-6-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

4-methoxy-6-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 66871329) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is 4-methoxy-6-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name4-methoxy-6-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID66871329
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC Name4-methoxy-6-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCOc1ncnc2c1CN(c1ccccn1)CC2
InChIInChI=1S/C13H14N4O/c1-18-13-10-8-17(12-4-2-3-6-14-12)7-5-11(10)15-9-16-13/h2-4,6,9H,5,7-8H2,1H3
InChIKeyNCPOZYMGRUKHQG-UHFFFAOYSA-N
XLogP1.44
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 4-methoxy-6-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 66871329) is 4-methoxy-6-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 4-methoxy-6-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 4-methoxy-6-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is COc1ncnc2c1CN(c1ccccn1)CC2.
What is the InChIKey of 4-methoxy-6-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is NCPOZYMGRUKHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c1-18-13-10-8-17(12-4-2-3-6-14-12)7-5-11(10)15-9-16-13/h2-4,6,9H,5,7-8H2,1H3.
What are the key properties of 4-methoxy-6-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
4-methoxy-6-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 242.28 g/mol, XLogP of 1.44, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 66871329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).