7-benzyl-2-propan-2-yl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine

C21H28N4 — CID 46953773

IUPAC7-benzyl-2-propan-2-yl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
SMILESCC(C)c1nc2c(c(N3CCCC3)n1)CCN(Cc1ccccc1)C2
InChIInChI=1S/C21H28N4/c1-16(2)20-22-19-15-24(14-17-8-4-3-5-9-17)13-10-18(19)21(23-20)25-11-6-7-12-25/h3-5,8-9,16H,6-7,10-15H2,1-2H3
InChIKeyJQDPGSRNFFWVNG-UHFFFAOYSA-N
MW336.48 g/mol
LogP3.76
Rot. Bonds4

About 7-benzyl-2-propan-2-yl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine

7-benzyl-2-propan-2-yl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (PubChem CID 46953773) has the molecular formula C21H28N4 and a molecular weight of 336.48 g/mol. Its IUPAC name is 7-benzyl-2-propan-2-yl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name7-benzyl-2-propan-2-yl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
PubChem CID46953773
Molecular FormulaC21H28N4
Molecular Weight336.48 g/mol
Exact Mass336.23
IUPAC Name7-benzyl-2-propan-2-yl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
SMILESCC(C)c1nc2c(c(N3CCCC3)n1)CCN(Cc1ccccc1)C2
InChIInChI=1S/C21H28N4/c1-16(2)20-22-19-15-24(14-17-8-4-3-5-9-17)13-10-18(19)21(23-20)25-11-6-7-12-25/h3-5,8-9,16H,6-7,10-15H2,1-2H3
InChIKeyJQDPGSRNFFWVNG-UHFFFAOYSA-N
XLogP3.76
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-benzyl-2-propan-2-yl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The IUPAC name of 7-benzyl-2-propan-2-yl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (CID 46953773) is 7-benzyl-2-propan-2-yl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.
What is the SMILES notation for 7-benzyl-2-propan-2-yl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The canonical SMILES for 7-benzyl-2-propan-2-yl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is CC(C)c1nc2c(c(N3CCCC3)n1)CCN(Cc1ccccc1)C2.
What is the InChIKey of 7-benzyl-2-propan-2-yl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The InChIKey is JQDPGSRNFFWVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4/c1-16(2)20-22-19-15-24(14-17-8-4-3-5-9-17)13-10-18(19)21(23-20)25-11-6-7-12-25/h3-5,8-9,16H,6-7,10-15H2,1-2H3.
What are the key properties of 7-benzyl-2-propan-2-yl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
7-benzyl-2-propan-2-yl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine has a molecular weight of 336.48 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-2-propan-2-yl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is sourced from PubChem (CID 46953773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).