2-[(3S)-1-(1-methyl-6-propylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]ethanamine

C16H26N6 — CID 95718016

IUPAC2-[(3S)-1-(1-methyl-6-propylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]ethanamine
SMILESCCCc1nc(N2CCC[C@@H](CCN)C2)c2cnn(C)c2n1
InChIInChI=1S/C16H26N6/c1-3-5-14-19-15-13(10-18-21(15)2)16(20-14)22-9-4-6-12(11-22)7-8-17/h10,12H,3-9,11,17H2,1-2H3/t12-/m0/s1
InChIKeyOFZKLRDNZLXUOQ-LBPRGKRZSA-N
MW302.43 g/mol
LogP1.88
Rot. Bonds5

About 2-[(3S)-1-(1-methyl-6-propylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]ethanamine

2-[(3S)-1-(1-methyl-6-propylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]ethanamine (PubChem CID 95718016) has the molecular formula C16H26N6 and a molecular weight of 302.43 g/mol. Its IUPAC name is 2-[(3S)-1-(1-methyl-6-propylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]ethanamine.

Molecular Properties

Compound Name2-[(3S)-1-(1-methyl-6-propylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]ethanamine
PubChem CID95718016
Molecular FormulaC16H26N6
Molecular Weight302.43 g/mol
Exact Mass302.22
IUPAC Name2-[(3S)-1-(1-methyl-6-propylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]ethanamine
SMILESCCCc1nc(N2CCC[C@@H](CCN)C2)c2cnn(C)c2n1
InChIInChI=1S/C16H26N6/c1-3-5-14-19-15-13(10-18-21(15)2)16(20-14)22-9-4-6-12(11-22)7-8-17/h10,12H,3-9,11,17H2,1-2H3/t12-/m0/s1
InChIKeyOFZKLRDNZLXUOQ-LBPRGKRZSA-N
XLogP1.88
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.43
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-(1-methyl-6-propylpyrazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxylate
CID 56897120
[4-(1-methyl-6-propylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 95715130
6-(methoxymethyl)-1-methyl-4-[(3S)-3-propoxypiperidin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 95718779
2-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]ethanol
CID 62357139
4-[(3R)-3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-1-methyl-6-propylpyrazolo[5,4-d]pyrimidine
CID 95871874
1-methyl-4-(4-propylazepan-1-yl)pyrazolo[5,4-d]pyrimidine
CID 48933564
1-(6-cyclopentyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)azetidin-3-amine
CID 56909758
2-[1-(5-chloro-2-methylpyrimidin-4-yl)piperidin-3-yl]ethanamine
CID 137334359
1-methyl-4-(4-methylpiperazin-1-yl)-6-(2-phenylethyl)pyrazolo[5,4-d]pyrimidine
CID 56912583
[(3S)-1-(6-ethyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-pyridin-2-ylmethanone
CID 95711494
2-[1-(3-methylpyrazin-2-yl)piperidin-3-yl]ethanamine
CID 83065103
(2S,6R)-4-(6-ethyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-2,6-dimethylmorpholine
CID 56899248

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1-(1-methyl-6-propylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]ethanamine?
The IUPAC name of 2-[(3S)-1-(1-methyl-6-propylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]ethanamine (CID 95718016) is 2-[(3S)-1-(1-methyl-6-propylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]ethanamine.
What is the SMILES notation for 2-[(3S)-1-(1-methyl-6-propylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]ethanamine?
The canonical SMILES for 2-[(3S)-1-(1-methyl-6-propylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]ethanamine is CCCc1nc(N2CCC[C@@H](CCN)C2)c2cnn(C)c2n1.
What is the InChIKey of 2-[(3S)-1-(1-methyl-6-propylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]ethanamine?
The InChIKey is OFZKLRDNZLXUOQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H26N6/c1-3-5-14-19-15-13(10-18-21(15)2)16(20-14)22-9-4-6-12(11-22)7-8-17/h10,12H,3-9,11,17H2,1-2H3/t12-/m0/s1.
What are the key properties of 2-[(3S)-1-(1-methyl-6-propylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]ethanamine?
2-[(3S)-1-(1-methyl-6-propylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]ethanamine has a molecular weight of 302.43 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1-(1-methyl-6-propylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]ethanamine is sourced from PubChem (CID 95718016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).