2-[1-(6-amino-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-2-yl]ethanol

C12H19N7O — CID 121452469

IUPAC2-[1-(6-amino-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-2-yl]ethanol
SMILESCn1ncc2c(N3CCNCC3CCO)nc(N)nc21
InChIInChI=1S/C12H19N7O/c1-18-10-9(7-15-18)11(17-12(13)16-10)19-4-3-14-6-8(19)2-5-20/h7-8,14,20H,2-6H2,1H3,(H2,13,16,17)
InChIKeyRORVIKSDLWFANQ-UHFFFAOYSA-N
MW277.33 g/mol
LogP-0.89
Rot. Bonds3

About 2-[1-(6-amino-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-2-yl]ethanol

2-[1-(6-amino-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-2-yl]ethanol (PubChem CID 121452469) has the molecular formula C12H19N7O and a molecular weight of 277.33 g/mol. Its IUPAC name is 2-[1-(6-amino-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-(6-amino-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-2-yl]ethanol
PubChem CID121452469
Molecular FormulaC12H19N7O
Molecular Weight277.33 g/mol
Exact Mass277.17
IUPAC Name2-[1-(6-amino-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-2-yl]ethanol
SMILESCn1ncc2c(N3CCNCC3CCO)nc(N)nc21
InChIInChI=1S/C12H19N7O/c1-18-10-9(7-15-18)11(17-12(13)16-10)19-4-3-14-6-8(19)2-5-20/h7-8,14,20H,2-6H2,1H3,(H2,13,16,17)
InChIKeyRORVIKSDLWFANQ-UHFFFAOYSA-N
XLogP-0.89
TPSA105.12 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 5-0.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

4-[(2S)-2-ethylpiperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidin-6-amine
CID 121452519
4-[2-(2-methoxyethyl)piperazin-1-yl]-1,6-dimethylpyrazolo[5,4-d]pyrimidine
CID 136569244
1-methyl-4-(4-methylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-6-amine
CID 71004312
tert-butyl (3S)-4-(6-amino-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-3-ethylpiperazine-1-carboxylate
CID 140731421
[(2S)-1-(6-chloro-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 142498248
2-(1-quinolin-4-ylpiperazin-2-yl)ethanol
CID 21424750
(3S)-4-(6-amino-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-3-methyl-N-(1-methylindol-4-yl)piperazine-1-carboxamide
CID 121452493
1,4-dimethylpyrazolo[3,4-d]pyrimidin-6-amine
CID 82415128
4-(2-ethylpiperidin-1-yl)-1,6-dimethylpyrazolo[5,4-d]pyrimidine
CID 136525360
1-(6-amino-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 139014359
2-[(2S)-1-(cyclopropylmethyl)-4-(1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-2-yl]ethanol
CID 98769620
4-(6-amino-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-N-(2,3-dihydro-1H-inden-5-yl)-3-methylpiperazine-1-carboxamide
CID 121452565

Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-amino-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-2-yl]ethanol?
The IUPAC name of 2-[1-(6-amino-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-2-yl]ethanol (CID 121452469) is 2-[1-(6-amino-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[1-(6-amino-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-2-yl]ethanol?
The canonical SMILES for 2-[1-(6-amino-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-2-yl]ethanol is Cn1ncc2c(N3CCNCC3CCO)nc(N)nc21.
What is the InChIKey of 2-[1-(6-amino-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-2-yl]ethanol?
The InChIKey is RORVIKSDLWFANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N7O/c1-18-10-9(7-15-18)11(17-12(13)16-10)19-4-3-14-6-8(19)2-5-20/h7-8,14,20H,2-6H2,1H3,(H2,13,16,17).
What are the key properties of 2-[1-(6-amino-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-2-yl]ethanol?
2-[1-(6-amino-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-2-yl]ethanol has a molecular weight of 277.33 g/mol, XLogP of -0.89, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-amino-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-2-yl]ethanol is sourced from PubChem (CID 121452469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).