2-piperidin-1-yl-5,8-dihydropyrido[3,4-d]pyrimidine

C12H16N4 — CID 69056360

IUPAC2-piperidin-1-yl-5,8-dihydropyrido[3,4-d]pyrimidine
SMILESC1=NCc2nc(N3CCCCC3)ncc2C1
InChIInChI=1S/C12H16N4/c1-2-6-16(7-3-1)12-14-8-10-4-5-13-9-11(10)15-12/h5,8H,1-4,6-7,9H2
InChIKeyFYRBZGXBIFXEKA-UHFFFAOYSA-N
MW216.29 g/mol
LogP1.59
Rot. Bonds1

About 2-piperidin-1-yl-5,8-dihydropyrido[3,4-d]pyrimidine

2-piperidin-1-yl-5,8-dihydropyrido[3,4-d]pyrimidine (PubChem CID 69056360) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 2-piperidin-1-yl-5,8-dihydropyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-piperidin-1-yl-5,8-dihydropyrido[3,4-d]pyrimidine
PubChem CID69056360
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name2-piperidin-1-yl-5,8-dihydropyrido[3,4-d]pyrimidine
SMILESC1=NCc2nc(N3CCCCC3)ncc2C1
InChIInChI=1S/C12H16N4/c1-2-6-16(7-3-1)12-14-8-10-4-5-13-9-11(10)15-12/h5,8H,1-4,6-7,9H2
InChIKeyFYRBZGXBIFXEKA-UHFFFAOYSA-N
XLogP1.59
TPSA41.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-yl-5,8-dihydropyrido[3,4-d]pyrimidine?
The IUPAC name of 2-piperidin-1-yl-5,8-dihydropyrido[3,4-d]pyrimidine (CID 69056360) is 2-piperidin-1-yl-5,8-dihydropyrido[3,4-d]pyrimidine.
What is the SMILES notation for 2-piperidin-1-yl-5,8-dihydropyrido[3,4-d]pyrimidine?
The canonical SMILES for 2-piperidin-1-yl-5,8-dihydropyrido[3,4-d]pyrimidine is C1=NCc2nc(N3CCCCC3)ncc2C1.
What is the InChIKey of 2-piperidin-1-yl-5,8-dihydropyrido[3,4-d]pyrimidine?
The InChIKey is FYRBZGXBIFXEKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-2-6-16(7-3-1)12-14-8-10-4-5-13-9-11(10)15-12/h5,8H,1-4,6-7,9H2.
What are the key properties of 2-piperidin-1-yl-5,8-dihydropyrido[3,4-d]pyrimidine?
2-piperidin-1-yl-5,8-dihydropyrido[3,4-d]pyrimidine has a molecular weight of 216.29 g/mol, XLogP of 1.59, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-yl-5,8-dihydropyrido[3,4-d]pyrimidine is sourced from PubChem (CID 69056360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).