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

C20H20N4 — CID 121455931

IUPAC6-benzyl-8-methyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCC1CN(Cc2ccccc2)Cc2cnc(-c3ccccn3)nc21
InChIInChI=1S/C20H20N4/c1-15-12-24(13-16-7-3-2-4-8-16)14-17-11-22-20(23-19(15)17)18-9-5-6-10-21-18/h2-11,15H,12-14H2,1H3
InChIKeyFQXIEVQTCAPGQL-UHFFFAOYSA-N
MW316.41 g/mol
LogP3.66
Rot. Bonds3

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

6-benzyl-8-methyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 121455931) has the molecular formula C20H20N4 and a molecular weight of 316.41 g/mol. Its IUPAC name is 6-benzyl-8-methyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-benzyl-8-methyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID121455931
Molecular FormulaC20H20N4
Molecular Weight316.41 g/mol
Exact Mass316.17
IUPAC Name6-benzyl-8-methyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCC1CN(Cc2ccccc2)Cc2cnc(-c3ccccn3)nc21
InChIInChI=1S/C20H20N4/c1-15-12-24(13-16-7-3-2-4-8-16)14-17-11-22-20(23-19(15)17)18-9-5-6-10-21-18/h2-11,15H,12-14H2,1H3
InChIKeyFQXIEVQTCAPGQL-UHFFFAOYSA-N
XLogP3.66
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-8-methyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-benzyl-8-methyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 121455931) is 6-benzyl-8-methyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-benzyl-8-methyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-benzyl-8-methyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is CC1CN(Cc2ccccc2)Cc2cnc(-c3ccccn3)nc21.
What is the InChIKey of 6-benzyl-8-methyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is FQXIEVQTCAPGQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4/c1-15-12-24(13-16-7-3-2-4-8-16)14-17-11-22-20(23-19(15)17)18-9-5-6-10-21-18/h2-11,15H,12-14H2,1H3.
What are the key properties of 6-benzyl-8-methyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-benzyl-8-methyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 316.41 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-8-methyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 121455931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).