2-tert-butyl-6-[(2,4-dimethoxy-3-methylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C21H29N3O2 — CID 24928610

IUPAC2-tert-butyl-6-[(2,4-dimethoxy-3-methylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCOc1ccc(CN2CCc3nc(C(C)(C)C)ncc3C2)c(OC)c1C
InChIInChI=1S/C21H29N3O2/c1-14-18(25-5)8-7-15(19(14)26-6)12-24-10-9-17-16(13-24)11-22-20(23-17)21(2,3)4/h7-8,11H,9-10,12-13H2,1-6H3
InChIKeyWRTWULOKVDNMIR-UHFFFAOYSA-N
MW355.48 g/mol
LogP3.66
Rot. Bonds4

About 2-tert-butyl-6-[(2,4-dimethoxy-3-methylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

2-tert-butyl-6-[(2,4-dimethoxy-3-methylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24928610) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is 2-tert-butyl-6-[(2,4-dimethoxy-3-methylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name2-tert-butyl-6-[(2,4-dimethoxy-3-methylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID24928610
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC Name2-tert-butyl-6-[(2,4-dimethoxy-3-methylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCOc1ccc(CN2CCc3nc(C(C)(C)C)ncc3C2)c(OC)c1C
InChIInChI=1S/C21H29N3O2/c1-14-18(25-5)8-7-15(19(14)26-6)12-24-10-9-17-16(13-24)11-22-20(23-17)21(2,3)4/h7-8,11H,9-10,12-13H2,1-6H3
InChIKeyWRTWULOKVDNMIR-UHFFFAOYSA-N
XLogP3.66
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-tert-butyl-6-[(2,4-dimethoxy-3-methylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine with MolForge

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Related Compounds

2-tert-butyl-6-[(2-chloro-3,4-dimethoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24929051
2-tert-butyl-6-[(3,4-dimethoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24930080
6-[(2,4-dimethoxy-3-methylphenyl)methyl]-2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928620
2-tert-butyl-6-[(2-methoxy-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913802
6-[(4-methoxy-2,3-dimethylphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928330
2-tert-butyl-6-[[5-(2-methoxyphenyl)thiophen-2-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24915629
2-tert-butyl-6-[(4-chloro-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913718
2-tert-butyl-6-[(3-chloro-4-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24915251
2-tert-butyl-6-[(2,6,6-trimethylcyclohexen-1-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24909623
2-tert-butyl-6-[(2-ethylpyrazol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913109
2-tert-butyl-6-(furan-2-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24908513
2-tert-butyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24910169

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-[(2,4-dimethoxy-3-methylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 2-tert-butyl-6-[(2,4-dimethoxy-3-methylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24928610) is 2-tert-butyl-6-[(2,4-dimethoxy-3-methylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 2-tert-butyl-6-[(2,4-dimethoxy-3-methylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 2-tert-butyl-6-[(2,4-dimethoxy-3-methylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is COc1ccc(CN2CCc3nc(C(C)(C)C)ncc3C2)c(OC)c1C.
What is the InChIKey of 2-tert-butyl-6-[(2,4-dimethoxy-3-methylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is WRTWULOKVDNMIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2/c1-14-18(25-5)8-7-15(19(14)26-6)12-24-10-9-17-16(13-24)11-22-20(23-17)21(2,3)4/h7-8,11H,9-10,12-13H2,1-6H3.
What are the key properties of 2-tert-butyl-6-[(2,4-dimethoxy-3-methylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
2-tert-butyl-6-[(2,4-dimethoxy-3-methylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 355.48 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-[(2,4-dimethoxy-3-methylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24928610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).