6-benzyl-4-butyl-2,8-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C20H27N3 — CID 123567925

IUPAC6-benzyl-4-butyl-2,8-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCCCCc1nc(C)nc2c1CN(Cc1ccccc1)CC2C
InChIInChI=1S/C20H27N3/c1-4-5-11-19-18-14-23(13-17-9-7-6-8-10-17)12-15(2)20(18)22-16(3)21-19/h6-10,15H,4-5,11-14H2,1-3H3
InChIKeyUPNPGTCIPZSUSP-UHFFFAOYSA-N
MW309.46 g/mol
LogP4.25
Rot. Bonds5

About 6-benzyl-4-butyl-2,8-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

6-benzyl-4-butyl-2,8-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 123567925) has the molecular formula C20H27N3 and a molecular weight of 309.46 g/mol. Its IUPAC name is 6-benzyl-4-butyl-2,8-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-benzyl-4-butyl-2,8-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID123567925
Molecular FormulaC20H27N3
Molecular Weight309.46 g/mol
Exact Mass309.22
IUPAC Name6-benzyl-4-butyl-2,8-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCCCCc1nc(C)nc2c1CN(Cc1ccccc1)CC2C
InChIInChI=1S/C20H27N3/c1-4-5-11-19-18-14-23(13-17-9-7-6-8-10-17)12-15(2)20(18)22-16(3)21-19/h6-10,15H,4-5,11-14H2,1-3H3
InChIKeyUPNPGTCIPZSUSP-UHFFFAOYSA-N
XLogP4.25
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.46
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-4-butyl-2,8-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-benzyl-4-butyl-2,8-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 123567925) is 6-benzyl-4-butyl-2,8-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-benzyl-4-butyl-2,8-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-benzyl-4-butyl-2,8-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is CCCCc1nc(C)nc2c1CN(Cc1ccccc1)CC2C.
What is the InChIKey of 6-benzyl-4-butyl-2,8-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is UPNPGTCIPZSUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3/c1-4-5-11-19-18-14-23(13-17-9-7-6-8-10-17)12-15(2)20(18)22-16(3)21-19/h6-10,15H,4-5,11-14H2,1-3H3.
What are the key properties of 6-benzyl-4-butyl-2,8-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-benzyl-4-butyl-2,8-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 309.46 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-4-butyl-2,8-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 123567925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).