1-[2-[[1-butyl-3-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethyl]-3-methylimidazolidin-2-one

C19H31N7O — CID 157013829

IUPAC1-[2-[[1-butyl-3-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethyl]-3-methylimidazolidin-2-one
SMILESCCCCn1nc(CC(C)C)c2c(NCCN3CCN(C)C3=O)ncnc21
InChIInChI=1S/C19H31N7O/c1-5-6-8-26-18-16(15(23-26)12-14(2)3)17(21-13-22-18)20-7-9-25-11-10-24(4)19(25)27/h13-14H,5-12H2,1-4H3,(H,20,21,22)
InChIKeyZROQQIUZGWXYDJ-UHFFFAOYSA-N
MW373.51 g/mol
LogP2.60
Rot. Bonds9

About 1-[2-[[1-butyl-3-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethyl]-3-methylimidazolidin-2-one

1-[2-[[1-butyl-3-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethyl]-3-methylimidazolidin-2-one (PubChem CID 157013829) has the molecular formula C19H31N7O and a molecular weight of 373.51 g/mol. Its IUPAC name is 1-[2-[[1-butyl-3-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethyl]-3-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[[1-butyl-3-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethyl]-3-methylimidazolidin-2-one
PubChem CID157013829
Molecular FormulaC19H31N7O
Molecular Weight373.51 g/mol
Exact Mass373.26
IUPAC Name1-[2-[[1-butyl-3-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethyl]-3-methylimidazolidin-2-one
SMILESCCCCn1nc(CC(C)C)c2c(NCCN3CCN(C)C3=O)ncnc21
InChIInChI=1S/C19H31N7O/c1-5-6-8-26-18-16(15(23-26)12-14(2)3)17(21-13-22-18)20-7-9-25-11-10-24(4)19(25)27/h13-14H,5-12H2,1-4H3,(H,20,21,22)
InChIKeyZROQQIUZGWXYDJ-UHFFFAOYSA-N
XLogP2.60
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.51
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[2-[[1-butyl-3-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethyl]-3-methylimidazolidin-2-one with MolForge

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Related Compounds

1-butyl-N-(2-methyl-2-morpholin-4-ylpropyl)-3-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 157013344
2-[[[1-butyl-3-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]methyl]-4-methyl-1H-pyrimidin-6-one
CID 157017888
1-butyl-3-(2-methylpropyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 162633743
1-butyl-4-(4,4-difluoropiperidin-1-yl)-3-(2-methylpropyl)pyrazolo[5,4-d]pyrimidine
CID 162630465
1-[1-butyl-3-(2-methylpropyl)pyrazolo[5,4-d]pyrimidin-4-yl]azetidin-3-ol
CID 162630698
1-butyl-4-[3-(methoxymethyl)pyrrolidin-1-yl]-3-(2-methylpropyl)pyrazolo[5,4-d]pyrimidine
CID 157012782
1-[1-butyl-3-(2-methylpropyl)pyrazolo[5,4-d]pyrimidin-4-yl]-N,N-dimethylpiperidin-3-amine
CID 162625527
1-methyl-3-[3-(propylamino)butyl]imidazolidin-2-one
CID 62492199
1,3-dibutylimidazolidin-2-one
CID 20887
1,3-dimethyl-N-(4-pyrrolidin-1-ylbutyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 110431932
1-butyl-3-propan-2-yl-1,3-diazinan-2-one
CID 21025400
N'-(1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)hexane-1,6-diamine
CID 70751320

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[1-butyl-3-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethyl]-3-methylimidazolidin-2-one?
The IUPAC name of 1-[2-[[1-butyl-3-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethyl]-3-methylimidazolidin-2-one (CID 157013829) is 1-[2-[[1-butyl-3-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethyl]-3-methylimidazolidin-2-one.
What is the SMILES notation for 1-[2-[[1-butyl-3-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethyl]-3-methylimidazolidin-2-one?
The canonical SMILES for 1-[2-[[1-butyl-3-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethyl]-3-methylimidazolidin-2-one is CCCCn1nc(CC(C)C)c2c(NCCN3CCN(C)C3=O)ncnc21.
What is the InChIKey of 1-[2-[[1-butyl-3-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethyl]-3-methylimidazolidin-2-one?
The InChIKey is ZROQQIUZGWXYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N7O/c1-5-6-8-26-18-16(15(23-26)12-14(2)3)17(21-13-22-18)20-7-9-25-11-10-24(4)19(25)27/h13-14H,5-12H2,1-4H3,(H,20,21,22).
What are the key properties of 1-[2-[[1-butyl-3-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethyl]-3-methylimidazolidin-2-one?
1-[2-[[1-butyl-3-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethyl]-3-methylimidazolidin-2-one has a molecular weight of 373.51 g/mol, XLogP of 2.60, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[1-butyl-3-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethyl]-3-methylimidazolidin-2-one is sourced from PubChem (CID 157013829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).