N-(1-benzylpiperidin-4-yl)-6-methyl-2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-amine

C26H38N6O — CID 117081278

IUPACN-(1-benzylpiperidin-4-yl)-6-methyl-2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-amine
SMILESCc1cc(NC2CCN(Cc3ccccc3)CC2)nc(N2CCC(N3CCOCC3)CC2)n1
InChIInChI=1S/C26H38N6O/c1-21-19-25(28-23-7-11-30(12-8-23)20-22-5-3-2-4-6-22)29-26(27-21)32-13-9-24(10-14-32)31-15-17-33-18-16-31/h2-6,19,23-24H,7-18,20H2,1H3,(H,27,28,29)
InChIKeyWIOJYTHQTMVMMJ-UHFFFAOYSA-N
MW450.63 g/mol
LogP3.16
Rot. Bonds6

About N-(1-benzylpiperidin-4-yl)-6-methyl-2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-amine

N-(1-benzylpiperidin-4-yl)-6-methyl-2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-amine (PubChem CID 117081278) has the molecular formula C26H38N6O and a molecular weight of 450.63 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-6-methyl-2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-6-methyl-2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-amine
PubChem CID117081278
Molecular FormulaC26H38N6O
Molecular Weight450.63 g/mol
Exact Mass450.31
IUPAC NameN-(1-benzylpiperidin-4-yl)-6-methyl-2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-amine
SMILESCc1cc(NC2CCN(Cc3ccccc3)CC2)nc(N2CCC(N3CCOCC3)CC2)n1
InChIInChI=1S/C26H38N6O/c1-21-19-25(28-23-7-11-30(12-8-23)20-22-5-3-2-4-6-22)29-26(27-21)32-13-9-24(10-14-32)31-15-17-33-18-16-31/h2-6,19,23-24H,7-18,20H2,1H3,(H,27,28,29)
InChIKeyWIOJYTHQTMVMMJ-UHFFFAOYSA-N
XLogP3.16
TPSA56.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.63
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(1-benzylpiperidin-4-yl)-6-methyl-2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-6-methyl-2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-amine?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-6-methyl-2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-amine (CID 117081278) is N-(1-benzylpiperidin-4-yl)-6-methyl-2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-6-methyl-2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-6-methyl-2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-amine is Cc1cc(NC2CCN(Cc3ccccc3)CC2)nc(N2CCC(N3CCOCC3)CC2)n1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-6-methyl-2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-amine?
The InChIKey is WIOJYTHQTMVMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N6O/c1-21-19-25(28-23-7-11-30(12-8-23)20-22-5-3-2-4-6-22)29-26(27-21)32-13-9-24(10-14-32)31-15-17-33-18-16-31/h2-6,19,23-24H,7-18,20H2,1H3,(H,27,28,29).
What are the key properties of N-(1-benzylpiperidin-4-yl)-6-methyl-2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-amine?
N-(1-benzylpiperidin-4-yl)-6-methyl-2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-amine has a molecular weight of 450.63 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-6-methyl-2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 117081278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).