3-benzyl-1-ethyl-6-[(3-methoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione

C24H27N3O3 — CID 155560532

IUPAC3-benzyl-1-ethyl-6-[(3-methoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione
SMILESCCn1c2c(c(=O)n(Cc3ccccc3)c1=O)CN(Cc1cccc(OC)c1)CC2
InChIInChI=1S/C24H27N3O3/c1-3-26-22-12-13-25(15-19-10-7-11-20(14-19)30-2)17-21(22)23(28)27(24(26)29)16-18-8-5-4-6-9-18/h4-11,14H,3,12-13,15-17H2,1-2H3
InChIKeySINWXSIUIGCVQF-UHFFFAOYSA-N
MW405.50 g/mol
LogP2.65
Rot. Bonds6

About 3-benzyl-1-ethyl-6-[(3-methoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione

3-benzyl-1-ethyl-6-[(3-methoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione (PubChem CID 155560532) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is 3-benzyl-1-ethyl-6-[(3-methoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-benzyl-1-ethyl-6-[(3-methoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione
PubChem CID155560532
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC Name3-benzyl-1-ethyl-6-[(3-methoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione
SMILESCCn1c2c(c(=O)n(Cc3ccccc3)c1=O)CN(Cc1cccc(OC)c1)CC2
InChIInChI=1S/C24H27N3O3/c1-3-26-22-12-13-25(15-19-10-7-11-20(14-19)30-2)17-21(22)23(28)27(24(26)29)16-18-8-5-4-6-9-18/h4-11,14H,3,12-13,15-17H2,1-2H3
InChIKeySINWXSIUIGCVQF-UHFFFAOYSA-N
XLogP2.65
TPSA56.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-ethyl-6-[(3-methoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione?
The IUPAC name of 3-benzyl-1-ethyl-6-[(3-methoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione (CID 155560532) is 3-benzyl-1-ethyl-6-[(3-methoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-benzyl-1-ethyl-6-[(3-methoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-benzyl-1-ethyl-6-[(3-methoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione is CCn1c2c(c(=O)n(Cc3ccccc3)c1=O)CN(Cc1cccc(OC)c1)CC2.
What is the InChIKey of 3-benzyl-1-ethyl-6-[(3-methoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione?
The InChIKey is SINWXSIUIGCVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-3-26-22-12-13-25(15-19-10-7-11-20(14-19)30-2)17-21(22)23(28)27(24(26)29)16-18-8-5-4-6-9-18/h4-11,14H,3,12-13,15-17H2,1-2H3.
What are the key properties of 3-benzyl-1-ethyl-6-[(3-methoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione?
3-benzyl-1-ethyl-6-[(3-methoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione has a molecular weight of 405.50 g/mol, XLogP of 2.65, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-ethyl-6-[(3-methoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 155560532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).