1-[1-butyl-3-(2-methylpropyl)pyrazolo[5,4-d]pyrimidin-4-yl]-N,N-dimethylpiperidin-3-amine

C20H34N6 — CID 162625527

IUPAC1-[1-butyl-3-(2-methylpropyl)pyrazolo[5,4-d]pyrimidin-4-yl]-N,N-dimethylpiperidin-3-amine
SMILESCCCCn1nc(CC(C)C)c2c(N3CCCC(N(C)C)C3)ncnc21
InChIInChI=1S/C20H34N6/c1-6-7-11-26-20-18(17(23-26)12-15(2)3)19(21-14-22-20)25-10-8-9-16(13-25)24(4)5/h14-16H,6-13H2,1-5H3
InChIKeyQVKPKKXQWQIXNS-UHFFFAOYSA-N
MW358.53 g/mol
LogP3.36
Rot. Bonds7

About 1-[1-butyl-3-(2-methylpropyl)pyrazolo[5,4-d]pyrimidin-4-yl]-N,N-dimethylpiperidin-3-amine

1-[1-butyl-3-(2-methylpropyl)pyrazolo[5,4-d]pyrimidin-4-yl]-N,N-dimethylpiperidin-3-amine (PubChem CID 162625527) has the molecular formula C20H34N6 and a molecular weight of 358.53 g/mol. Its IUPAC name is 1-[1-butyl-3-(2-methylpropyl)pyrazolo[5,4-d]pyrimidin-4-yl]-N,N-dimethylpiperidin-3-amine.

Molecular Properties

Compound Name1-[1-butyl-3-(2-methylpropyl)pyrazolo[5,4-d]pyrimidin-4-yl]-N,N-dimethylpiperidin-3-amine
PubChem CID162625527
Molecular FormulaC20H34N6
Molecular Weight358.53 g/mol
Exact Mass358.28
IUPAC Name1-[1-butyl-3-(2-methylpropyl)pyrazolo[5,4-d]pyrimidin-4-yl]-N,N-dimethylpiperidin-3-amine
SMILESCCCCn1nc(CC(C)C)c2c(N3CCCC(N(C)C)C3)ncnc21
InChIInChI=1S/C20H34N6/c1-6-7-11-26-20-18(17(23-26)12-15(2)3)19(21-14-22-20)25-10-8-9-16(13-25)24(4)5/h14-16H,6-13H2,1-5H3
InChIKeyQVKPKKXQWQIXNS-UHFFFAOYSA-N
XLogP3.36
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[1-butyl-3-(2-methylpropyl)pyrazolo[5,4-d]pyrimidin-4-yl]-N,N-dimethylpiperidin-3-amine with MolForge

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Related Compounds

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]azetidin-3-ol
CID 162630698
(3R,4R)-1-[1-butyl-3-(2-methylpropyl)pyrazolo[5,4-d]pyrimidin-4-yl]-4-(hydroxymethyl)piperidin-3-ol
CID 164696494
1-butyl-4-(4,4-difluoropiperidin-1-yl)-3-(2-methylpropyl)pyrazolo[5,4-d]pyrimidine
CID 162630465
1-butyl-N-(2-methyl-2-morpholin-4-ylpropyl)-3-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 157013344
1-[2-[[1-butyl-3-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethyl]-3-methylimidazolidin-2-one
CID 157013829
1-(6-chloro-5-propylpyrimidin-4-yl)-N,N-dimethylpyrrolidin-3-amine
CID 63729539
1-[5-(2-aminopropyl)-3-methyl-2-pyridinyl]-N,N-dimethylpiperidin-3-amine
CID 80634466
6-[3-(dimethylamino)piperidin-1-yl]pyrimidin-4-amine
CID 80856163
2-[[[1-butyl-3-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]methyl]-4-methyl-1H-pyrimidin-6-one
CID 157017888
4-[3-(dimethylamino)piperidin-1-yl]-5-fluoro-N-propylpyrimidin-2-amine
CID 80856544
1-(7-chloroquinazolin-4-yl)-N,N-dimethylpiperidin-3-amine
CID 86885508

Frequently Asked Questions

What is the IUPAC name of 1-[1-butyl-3-(2-methylpropyl)pyrazolo[5,4-d]pyrimidin-4-yl]-N,N-dimethylpiperidin-3-amine?
The IUPAC name of 1-[1-butyl-3-(2-methylpropyl)pyrazolo[5,4-d]pyrimidin-4-yl]-N,N-dimethylpiperidin-3-amine (CID 162625527) is 1-[1-butyl-3-(2-methylpropyl)pyrazolo[5,4-d]pyrimidin-4-yl]-N,N-dimethylpiperidin-3-amine.
What is the SMILES notation for 1-[1-butyl-3-(2-methylpropyl)pyrazolo[5,4-d]pyrimidin-4-yl]-N,N-dimethylpiperidin-3-amine?
The canonical SMILES for 1-[1-butyl-3-(2-methylpropyl)pyrazolo[5,4-d]pyrimidin-4-yl]-N,N-dimethylpiperidin-3-amine is CCCCn1nc(CC(C)C)c2c(N3CCCC(N(C)C)C3)ncnc21.
What is the InChIKey of 1-[1-butyl-3-(2-methylpropyl)pyrazolo[5,4-d]pyrimidin-4-yl]-N,N-dimethylpiperidin-3-amine?
The InChIKey is QVKPKKXQWQIXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N6/c1-6-7-11-26-20-18(17(23-26)12-15(2)3)19(21-14-22-20)25-10-8-9-16(13-25)24(4)5/h14-16H,6-13H2,1-5H3.
What are the key properties of 1-[1-butyl-3-(2-methylpropyl)pyrazolo[5,4-d]pyrimidin-4-yl]-N,N-dimethylpiperidin-3-amine?
1-[1-butyl-3-(2-methylpropyl)pyrazolo[5,4-d]pyrimidin-4-yl]-N,N-dimethylpiperidin-3-amine has a molecular weight of 358.53 g/mol, XLogP of 3.36, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-butyl-3-(2-methylpropyl)pyrazolo[5,4-d]pyrimidin-4-yl]-N,N-dimethylpiperidin-3-amine is sourced from PubChem (CID 162625527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).