7-phenyl-4-pyrrolidin-1-ylpyrido[4,3-d]pyrimidine

C17H16N4 — CID 101480640

IUPAC7-phenyl-4-pyrrolidin-1-ylpyrido[4,3-d]pyrimidine
SMILESc1ccc(-c2cc3ncnc(N4CCCC4)c3cn2)cc1
InChIInChI=1S/C17H16N4/c1-2-6-13(7-3-1)15-10-16-14(11-18-15)17(20-12-19-16)21-8-4-5-9-21/h1-3,6-7,10-12H,4-5,8-9H2
InChIKeyNLRKALCGWWKCLR-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.29
Rot. Bonds2

About 7-phenyl-4-pyrrolidin-1-ylpyrido[4,3-d]pyrimidine

7-phenyl-4-pyrrolidin-1-ylpyrido[4,3-d]pyrimidine (PubChem CID 101480640) has the molecular formula C17H16N4 and a molecular weight of 276.34 g/mol. Its IUPAC name is 7-phenyl-4-pyrrolidin-1-ylpyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name7-phenyl-4-pyrrolidin-1-ylpyrido[4,3-d]pyrimidine
PubChem CID101480640
Molecular FormulaC17H16N4
Molecular Weight276.34 g/mol
Exact Mass276.14
IUPAC Name7-phenyl-4-pyrrolidin-1-ylpyrido[4,3-d]pyrimidine
SMILESc1ccc(-c2cc3ncnc(N4CCCC4)c3cn2)cc1
InChIInChI=1S/C17H16N4/c1-2-6-13(7-3-1)15-10-16-14(11-18-15)17(20-12-19-16)21-8-4-5-9-21/h1-3,6-7,10-12H,4-5,8-9H2
InChIKeyNLRKALCGWWKCLR-UHFFFAOYSA-N
XLogP3.29
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-phenyl-4-pyrrolidin-1-ylpyrido[4,3-d]pyrimidine?
The IUPAC name of 7-phenyl-4-pyrrolidin-1-ylpyrido[4,3-d]pyrimidine (CID 101480640) is 7-phenyl-4-pyrrolidin-1-ylpyrido[4,3-d]pyrimidine.
What is the SMILES notation for 7-phenyl-4-pyrrolidin-1-ylpyrido[4,3-d]pyrimidine?
The canonical SMILES for 7-phenyl-4-pyrrolidin-1-ylpyrido[4,3-d]pyrimidine is c1ccc(-c2cc3ncnc(N4CCCC4)c3cn2)cc1.
What is the InChIKey of 7-phenyl-4-pyrrolidin-1-ylpyrido[4,3-d]pyrimidine?
The InChIKey is NLRKALCGWWKCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4/c1-2-6-13(7-3-1)15-10-16-14(11-18-15)17(20-12-19-16)21-8-4-5-9-21/h1-3,6-7,10-12H,4-5,8-9H2.
What are the key properties of 7-phenyl-4-pyrrolidin-1-ylpyrido[4,3-d]pyrimidine?
7-phenyl-4-pyrrolidin-1-ylpyrido[4,3-d]pyrimidine has a molecular weight of 276.34 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-4-pyrrolidin-1-ylpyrido[4,3-d]pyrimidine is sourced from PubChem (CID 101480640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).