1-[3-[[2-amino-6-[(1-benzylpiperidin-4-yl)amino]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one

C23H33N7O — CID 117087297

IUPAC1-[3-[[2-amino-6-[(1-benzylpiperidin-4-yl)amino]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one
SMILESNc1nc(NCCCN2CCCC2=O)cc(NC2CCN(Cc3ccccc3)CC2)n1
InChIInChI=1S/C23H33N7O/c24-23-27-20(25-11-5-13-30-12-4-8-22(30)31)16-21(28-23)26-19-9-14-29(15-10-19)17-18-6-2-1-3-7-18/h1-3,6-7,16,19H,4-5,8-15,17H2,(H4,24,25,26,27,28)
InChIKeyXUCCHNPPCXLBMN-UHFFFAOYSA-N
MW423.57 g/mol
LogP2.56
Rot. Bonds9

About 1-[3-[[2-amino-6-[(1-benzylpiperidin-4-yl)amino]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one

1-[3-[[2-amino-6-[(1-benzylpiperidin-4-yl)amino]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one (PubChem CID 117087297) has the molecular formula C23H33N7O and a molecular weight of 423.57 g/mol. Its IUPAC name is 1-[3-[[2-amino-6-[(1-benzylpiperidin-4-yl)amino]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[[2-amino-6-[(1-benzylpiperidin-4-yl)amino]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one
PubChem CID117087297
Molecular FormulaC23H33N7O
Molecular Weight423.57 g/mol
Exact Mass423.27
IUPAC Name1-[3-[[2-amino-6-[(1-benzylpiperidin-4-yl)amino]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one
SMILESNc1nc(NCCCN2CCCC2=O)cc(NC2CCN(Cc3ccccc3)CC2)n1
InChIInChI=1S/C23H33N7O/c24-23-27-20(25-11-5-13-30-12-4-8-22(30)31)16-21(28-23)26-19-9-14-29(15-10-19)17-18-6-2-1-3-7-18/h1-3,6-7,16,19H,4-5,8-15,17H2,(H4,24,25,26,27,28)
InChIKeyXUCCHNPPCXLBMN-UHFFFAOYSA-N
XLogP2.56
TPSA99.41 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.57
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-[3-[[2-amino-6-[(1-benzylpiperidin-4-yl)amino]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one with MolForge

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Related Compounds

2-[(1-benzylpiperidin-4-yl)amino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-benzothiazole-6-carboxamide
CID 117083071
4-N-(1-benzylpiperidin-4-yl)-6-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4,6-triamine
CID 117087606
4-N-(1-benzylpiperidin-4-yl)-6-morpholin-4-ylpyrimidine-2,4-diamine
CID 117085878
2-[3-(2-oxopyrrolidin-1-yl)propylamino]quinoline-4-carboxamide
CID 117089388
1-[3-[[4-(benzylamino)-6-methylpyrimidin-2-yl]amino]propyl]pyrrolidin-2-one
CID 117084974
1-[3-(benzylamino)propyl]pyrrolidin-2-one;hydrochloride
CID 17211877
4-N-cyclopropyl-6-N-(2-morpholin-4-ylethyl)pyrimidine-2,4,6-triamine
CID 117093770
1-[3-[[6-methyl-2-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one
CID 117080518
2-N-(1-benzylpiperidin-4-yl)-6-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 117084092
2-N-(1-benzylpiperidin-4-yl)-4-chlorobenzene-1,2-diamine
CID 22922520
6-(3-aminocyclobutyl)-4-N-[(3S)-1-benzylpyrrolidin-3-yl]pyrimidine-2,4-diamine
CID 91786856
1-[[4-[2-[[(2-amino-6-chloropyrimidin-4-yl)amino]methyl]phenyl]phenyl]methyl]pyrrolidin-2-one
CID 51113304

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[2-amino-6-[(1-benzylpiperidin-4-yl)amino]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[[2-amino-6-[(1-benzylpiperidin-4-yl)amino]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one (CID 117087297) is 1-[3-[[2-amino-6-[(1-benzylpiperidin-4-yl)amino]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[[2-amino-6-[(1-benzylpiperidin-4-yl)amino]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[[2-amino-6-[(1-benzylpiperidin-4-yl)amino]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one is Nc1nc(NCCCN2CCCC2=O)cc(NC2CCN(Cc3ccccc3)CC2)n1.
What is the InChIKey of 1-[3-[[2-amino-6-[(1-benzylpiperidin-4-yl)amino]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one?
The InChIKey is XUCCHNPPCXLBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N7O/c24-23-27-20(25-11-5-13-30-12-4-8-22(30)31)16-21(28-23)26-19-9-14-29(15-10-19)17-18-6-2-1-3-7-18/h1-3,6-7,16,19H,4-5,8-15,17H2,(H4,24,25,26,27,28).
What are the key properties of 1-[3-[[2-amino-6-[(1-benzylpiperidin-4-yl)amino]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one?
1-[3-[[2-amino-6-[(1-benzylpiperidin-4-yl)amino]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one has a molecular weight of 423.57 g/mol, XLogP of 2.56, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[2-amino-6-[(1-benzylpiperidin-4-yl)amino]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one is sourced from PubChem (CID 117087297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).