4-amino-1-[3-[(1-benzylpiperidin-4-yl)amino]propyl]pyrimidin-2-one

C19H27N5O — CID 46903646

IUPAC4-amino-1-[3-[(1-benzylpiperidin-4-yl)amino]propyl]pyrimidin-2-one
SMILESNc1ccn(CCCNC2CCN(Cc3ccccc3)CC2)c(=O)n1
InChIInChI=1S/C19H27N5O/c20-18-9-14-24(19(25)22-18)11-4-10-21-17-7-12-23(13-8-17)15-16-5-2-1-3-6-16/h1-3,5-6,9,14,17,21H,4,7-8,10-13,15H2,(H2,20,22,25)
InChIKeyNHYNPIXYRQAHRW-UHFFFAOYSA-N
MW341.46 g/mol
LogP1.47
Rot. Bonds7

About 4-amino-1-[3-[(1-benzylpiperidin-4-yl)amino]propyl]pyrimidin-2-one

4-amino-1-[3-[(1-benzylpiperidin-4-yl)amino]propyl]pyrimidin-2-one (PubChem CID 46903646) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is 4-amino-1-[3-[(1-benzylpiperidin-4-yl)amino]propyl]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[3-[(1-benzylpiperidin-4-yl)amino]propyl]pyrimidin-2-one
PubChem CID46903646
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name4-amino-1-[3-[(1-benzylpiperidin-4-yl)amino]propyl]pyrimidin-2-one
SMILESNc1ccn(CCCNC2CCN(Cc3ccccc3)CC2)c(=O)n1
InChIInChI=1S/C19H27N5O/c20-18-9-14-24(19(25)22-18)11-4-10-21-17-7-12-23(13-8-17)15-16-5-2-1-3-6-16/h1-3,5-6,9,14,17,21H,4,7-8,10-13,15H2,(H2,20,22,25)
InChIKeyNHYNPIXYRQAHRW-UHFFFAOYSA-N
XLogP1.47
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 4-amino-1-[3-[(1-benzylpiperidin-4-yl)amino]propyl]pyrimidin-2-one?
The IUPAC name of 4-amino-1-[3-[(1-benzylpiperidin-4-yl)amino]propyl]pyrimidin-2-one (CID 46903646) is 4-amino-1-[3-[(1-benzylpiperidin-4-yl)amino]propyl]pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[3-[(1-benzylpiperidin-4-yl)amino]propyl]pyrimidin-2-one?
The canonical SMILES for 4-amino-1-[3-[(1-benzylpiperidin-4-yl)amino]propyl]pyrimidin-2-one is Nc1ccn(CCCNC2CCN(Cc3ccccc3)CC2)c(=O)n1.
What is the InChIKey of 4-amino-1-[3-[(1-benzylpiperidin-4-yl)amino]propyl]pyrimidin-2-one?
The InChIKey is NHYNPIXYRQAHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c20-18-9-14-24(19(25)22-18)11-4-10-21-17-7-12-23(13-8-17)15-16-5-2-1-3-6-16/h1-3,5-6,9,14,17,21H,4,7-8,10-13,15H2,(H2,20,22,25).
What are the key properties of 4-amino-1-[3-[(1-benzylpiperidin-4-yl)amino]propyl]pyrimidin-2-one?
4-amino-1-[3-[(1-benzylpiperidin-4-yl)amino]propyl]pyrimidin-2-one has a molecular weight of 341.46 g/mol, XLogP of 1.47, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[3-[(1-benzylpiperidin-4-yl)amino]propyl]pyrimidin-2-one is sourced from PubChem (CID 46903646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).