4-[(2S)-2-ethylpiperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidin-6-amine

C12H19N7 — CID 121452519

IUPAC4-[(2S)-2-ethylpiperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidin-6-amine
SMILESCC[C@H]1CNCCN1c1nc(N)nc2c1cnn2C
InChIInChI=1S/C12H19N7/c1-3-8-6-14-4-5-19(8)11-9-7-15-18(2)10(9)16-12(13)17-11/h7-8,14H,3-6H2,1-2H3,(H2,13,16,17)/t8-/m0/s1
InChIKeyZPZQMEDPWVADHN-QMMMGPOBSA-N
MW261.33 g/mol
LogP0.13
Rot. Bonds2

About 4-[(2S)-2-ethylpiperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidin-6-amine

4-[(2S)-2-ethylpiperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidin-6-amine (PubChem CID 121452519) has the molecular formula C12H19N7 and a molecular weight of 261.33 g/mol. Its IUPAC name is 4-[(2S)-2-ethylpiperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidin-6-amine.

Molecular Properties

Compound Name4-[(2S)-2-ethylpiperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidin-6-amine
PubChem CID121452519
Molecular FormulaC12H19N7
Molecular Weight261.33 g/mol
Exact Mass261.17
IUPAC Name4-[(2S)-2-ethylpiperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidin-6-amine
SMILESCC[C@H]1CNCCN1c1nc(N)nc2c1cnn2C
InChIInChI=1S/C12H19N7/c1-3-8-6-14-4-5-19(8)11-9-7-15-18(2)10(9)16-12(13)17-11/h7-8,14H,3-6H2,1-2H3,(H2,13,16,17)/t8-/m0/s1
InChIKeyZPZQMEDPWVADHN-QMMMGPOBSA-N
XLogP0.13
TPSA84.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[1-(6-amino-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-2-yl]ethanol
CID 121452469
4-[2-(2-methoxyethyl)piperazin-1-yl]-1,6-dimethylpyrazolo[5,4-d]pyrimidine
CID 136569244
tert-butyl (3S)-4-(6-amino-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-3-ethylpiperazine-1-carboxylate
CID 140731421
4-(2-ethylpiperidin-1-yl)-1,6-dimethylpyrazolo[5,4-d]pyrimidine
CID 136525360
1-methyl-4-(4-methylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-6-amine
CID 71004312
1,4-dimethylpyrazolo[3,4-d]pyrimidin-6-amine
CID 82415128
2-(2-ethylpiperazin-1-yl)-1,3-benzoxazole
CID 63553534
4-(2-ethylpiperazin-1-yl)-2-methylquinoline
CID 63602882
2-ethyl-1-pyridin-2-ylpiperazine
CID 63600435
1-(3-bromo-2-pyridinyl)-2-ethylpiperazine
CID 63600954
4-[(2R)-2-ethylpiperazin-1-yl]-1H-pyridazin-6-one
CID 138484119
1-(2-ethylpiperazin-1-yl)-7-methoxyisoquinoline
CID 106542352

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-ethylpiperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidin-6-amine?
The IUPAC name of 4-[(2S)-2-ethylpiperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidin-6-amine (CID 121452519) is 4-[(2S)-2-ethylpiperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidin-6-amine.
What is the SMILES notation for 4-[(2S)-2-ethylpiperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidin-6-amine?
The canonical SMILES for 4-[(2S)-2-ethylpiperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidin-6-amine is CC[C@H]1CNCCN1c1nc(N)nc2c1cnn2C.
What is the InChIKey of 4-[(2S)-2-ethylpiperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidin-6-amine?
The InChIKey is ZPZQMEDPWVADHN-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H19N7/c1-3-8-6-14-4-5-19(8)11-9-7-15-18(2)10(9)16-12(13)17-11/h7-8,14H,3-6H2,1-2H3,(H2,13,16,17)/t8-/m0/s1.
What are the key properties of 4-[(2S)-2-ethylpiperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidin-6-amine?
4-[(2S)-2-ethylpiperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidin-6-amine has a molecular weight of 261.33 g/mol, XLogP of 0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-ethylpiperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidin-6-amine is sourced from PubChem (CID 121452519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).