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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Related Compounds

(8R)-8-ethyl-4-methyl-2-phenyl-3a,7,8,9b-tetrahydro-1H-imidazo[2,1-f]purin-5-one
CID 168274222
2-[(4-benzylpiperazino)methyl]-2,6-dihydroimidazo[1,2-c]quinazolin-5(3H)-one
CID 2768866
1-(1-Benzyl-piperidin-4-yl)-4-phenyl-1,3-dihydro-imidazol-2-one
CID 10735405
2-[[(1-benzylpiperidin-4-yl)amino]methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one
CID 135848145
1-Benzyl-5-methyl-4-(octylamino)-1,2-dihydropyrimidin-2-one
CID 154040010
1-Benzyl-5-methyl-4-(3-methylbutylamino)pyrimidin-2-one
CID 155557231
8-Benzyl-4-(cyclohexylamino)-1,3,8-triazaspiro[4.5]dec-3-en-2-one
CID 135875881
1-Benzyl-3-(1-benzyl-piperidin-4-yl)-urea
CID 17987129
N-(1-benzylpiperidin-4-yl)piperidine-1-carboxamide
CID 44387751
4-Amino-1-benzylpyrimidin-2(1H)-one
CID 308581
1-Benzyl-4-(decylamino)-5-methylpyrimidin-2-one
CID 148339851
1-Benzyl-4-(butan-2-ylamino)-5-methylpyrimidin-2-one
CID 155515630

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).