4-N-(1-benzylpiperidin-4-yl)-6-morpholin-4-ylpyrimidine-2,4-diamine

C20H28N6O — CID 117085878

IUPAC4-N-(1-benzylpiperidin-4-yl)-6-morpholin-4-ylpyrimidine-2,4-diamine
SMILESNc1nc(NC2CCN(Cc3ccccc3)CC2)cc(N2CCOCC2)n1
InChIInChI=1S/C20H28N6O/c21-20-23-18(14-19(24-20)26-10-12-27-13-11-26)22-17-6-8-25(9-7-17)15-16-4-2-1-3-5-16/h1-5,14,17H,6-13,15H2,(H3,21,22,23,24)
InChIKeyGFHUEMDBFLBXGQ-UHFFFAOYSA-N
MW368.49 g/mol
LogP1.97
Rot. Bonds5

About 4-N-(1-benzylpiperidin-4-yl)-6-morpholin-4-ylpyrimidine-2,4-diamine

4-N-(1-benzylpiperidin-4-yl)-6-morpholin-4-ylpyrimidine-2,4-diamine (PubChem CID 117085878) has the molecular formula C20H28N6O and a molecular weight of 368.49 g/mol. Its IUPAC name is 4-N-(1-benzylpiperidin-4-yl)-6-morpholin-4-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(1-benzylpiperidin-4-yl)-6-morpholin-4-ylpyrimidine-2,4-diamine
PubChem CID117085878
Molecular FormulaC20H28N6O
Molecular Weight368.49 g/mol
Exact Mass368.23
IUPAC Name4-N-(1-benzylpiperidin-4-yl)-6-morpholin-4-ylpyrimidine-2,4-diamine
SMILESNc1nc(NC2CCN(Cc3ccccc3)CC2)cc(N2CCOCC2)n1
InChIInChI=1S/C20H28N6O/c21-20-23-18(14-19(24-20)26-10-12-27-13-11-26)22-17-6-8-25(9-7-17)15-16-4-2-1-3-5-16/h1-5,14,17H,6-13,15H2,(H3,21,22,23,24)
InChIKeyGFHUEMDBFLBXGQ-UHFFFAOYSA-N
XLogP1.97
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.49
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-N-(1-benzylpiperidin-4-yl)-6-morpholin-4-ylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(1-benzylpiperidin-4-yl)-6-morpholin-4-ylpyrimidine-2,4-diamine (CID 117085878) is 4-N-(1-benzylpiperidin-4-yl)-6-morpholin-4-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(1-benzylpiperidin-4-yl)-6-morpholin-4-ylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(1-benzylpiperidin-4-yl)-6-morpholin-4-ylpyrimidine-2,4-diamine is Nc1nc(NC2CCN(Cc3ccccc3)CC2)cc(N2CCOCC2)n1.
What is the InChIKey of 4-N-(1-benzylpiperidin-4-yl)-6-morpholin-4-ylpyrimidine-2,4-diamine?
The InChIKey is GFHUEMDBFLBXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O/c21-20-23-18(14-19(24-20)26-10-12-27-13-11-26)22-17-6-8-25(9-7-17)15-16-4-2-1-3-5-16/h1-5,14,17H,6-13,15H2,(H3,21,22,23,24).
What are the key properties of 4-N-(1-benzylpiperidin-4-yl)-6-morpholin-4-ylpyrimidine-2,4-diamine?
4-N-(1-benzylpiperidin-4-yl)-6-morpholin-4-ylpyrimidine-2,4-diamine has a molecular weight of 368.49 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-benzylpiperidin-4-yl)-6-morpholin-4-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 117085878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).