2,4-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidine

C16H22N6 — CID 54513347

IUPAC2,4-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidine
SMILESc1ncc2nc(N3CCCCC3)nc(N3CCCCC3)c2n1
InChIInChI=1S/C16H22N6/c1-3-7-21(8-4-1)15-14-13(11-17-12-18-14)19-16(20-15)22-9-5-2-6-10-22/h11-12H,1-10H2
InChIKeyYKRQHJBBCGNVSD-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.40
Rot. Bonds2

About 2,4-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidine

2,4-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidine (PubChem CID 54513347) has the molecular formula C16H22N6 and a molecular weight of 298.39 g/mol. Its IUPAC name is 2,4-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidine.

Molecular Properties

Compound Name2,4-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidine
PubChem CID54513347
Molecular FormulaC16H22N6
Molecular Weight298.39 g/mol
Exact Mass298.19
IUPAC Name2,4-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidine
SMILESc1ncc2nc(N3CCCCC3)nc(N3CCCCC3)c2n1
InChIInChI=1S/C16H22N6/c1-3-7-21(8-4-1)15-14-13(11-17-12-18-14)19-16(20-15)22-9-5-2-6-10-22/h11-12H,1-10H2
InChIKeyYKRQHJBBCGNVSD-UHFFFAOYSA-N
XLogP2.40
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,4-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidine?
The IUPAC name of 2,4-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidine (CID 54513347) is 2,4-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidine.
What is the SMILES notation for 2,4-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidine?
The canonical SMILES for 2,4-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidine is c1ncc2nc(N3CCCCC3)nc(N3CCCCC3)c2n1.
What is the InChIKey of 2,4-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidine?
The InChIKey is YKRQHJBBCGNVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6/c1-3-7-21(8-4-1)15-14-13(11-17-12-18-14)19-16(20-15)22-9-5-2-6-10-22/h11-12H,1-10H2.
What are the key properties of 2,4-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidine?
2,4-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidine has a molecular weight of 298.39 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidine is sourced from PubChem (CID 54513347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).