2,6-bis(2-methoxyethoxy)-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidine

C22H34N6O4 — CID 11166752

IUPAC2,6-bis(2-methoxyethoxy)-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidine
SMILESCOCCOc1nc(N2CCCCC2)c2nc(OCCOC)nc(N3CCCCC3)c2n1
InChIInChI=1S/C22H34N6O4/c1-29-13-15-31-21-23-17-18(19(25-21)27-9-5-3-6-10-27)24-22(32-16-14-30-2)26-20(17)28-11-7-4-8-12-28/h3-16H2,1-2H3
InChIKeyPCMFSEDQAIFBEV-UHFFFAOYSA-N
MW446.55 g/mol
LogP2.45
Rot. Bonds10

About 2,6-bis(2-methoxyethoxy)-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidine

2,6-bis(2-methoxyethoxy)-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidine (PubChem CID 11166752) has the molecular formula C22H34N6O4 and a molecular weight of 446.55 g/mol. Its IUPAC name is 2,6-bis(2-methoxyethoxy)-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidine.

Molecular Properties

Compound Name2,6-bis(2-methoxyethoxy)-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidine
PubChem CID11166752
Molecular FormulaC22H34N6O4
Molecular Weight446.55 g/mol
Exact Mass446.26
IUPAC Name2,6-bis(2-methoxyethoxy)-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidine
SMILESCOCCOc1nc(N2CCCCC2)c2nc(OCCOC)nc(N3CCCCC3)c2n1
InChIInChI=1S/C22H34N6O4/c1-29-13-15-31-21-23-17-18(19(25-21)27-9-5-3-6-10-27)24-22(32-16-14-30-2)26-20(17)28-11-7-4-8-12-28/h3-16H2,1-2H3
InChIKeyPCMFSEDQAIFBEV-UHFFFAOYSA-N
XLogP2.45
TPSA94.96 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis(2-methoxyethoxy)-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidine?
The IUPAC name of 2,6-bis(2-methoxyethoxy)-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidine (CID 11166752) is 2,6-bis(2-methoxyethoxy)-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidine.
What is the SMILES notation for 2,6-bis(2-methoxyethoxy)-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidine?
The canonical SMILES for 2,6-bis(2-methoxyethoxy)-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidine is COCCOc1nc(N2CCCCC2)c2nc(OCCOC)nc(N3CCCCC3)c2n1.
What is the InChIKey of 2,6-bis(2-methoxyethoxy)-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidine?
The InChIKey is PCMFSEDQAIFBEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N6O4/c1-29-13-15-31-21-23-17-18(19(25-21)27-9-5-3-6-10-27)24-22(32-16-14-30-2)26-20(17)28-11-7-4-8-12-28/h3-16H2,1-2H3.
What are the key properties of 2,6-bis(2-methoxyethoxy)-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidine?
2,6-bis(2-methoxyethoxy)-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidine has a molecular weight of 446.55 g/mol, XLogP of 2.45, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(2-methoxyethoxy)-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidine is sourced from PubChem (CID 11166752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).