4-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine

C14H22N6O — CID 95345338

IUPAC4-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine
SMILESCOCCN1CCN(c2ncnc3c2cnn3C)C[C@@H]1C
InChIInChI=1S/C14H22N6O/c1-11-9-20(5-4-19(11)6-7-21-3)14-12-8-17-18(2)13(12)15-10-16-14/h8,10-11H,4-7,9H2,1-3H3/t11-/m0/s1
InChIKeyUUNLPMXCOYMQLA-NSHDSACASA-N
MW290.37 g/mol
LogP0.52
Rot. Bonds4

About 4-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine

4-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine (PubChem CID 95345338) has the molecular formula C14H22N6O and a molecular weight of 290.37 g/mol. Its IUPAC name is 4-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine
PubChem CID95345338
Molecular FormulaC14H22N6O
Molecular Weight290.37 g/mol
Exact Mass290.19
IUPAC Name4-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine
SMILESCOCCN1CCN(c2ncnc3c2cnn3C)C[C@@H]1C
InChIInChI=1S/C14H22N6O/c1-11-9-20(5-4-19(11)6-7-21-3)14-12-8-17-18(2)13(12)15-10-16-14/h8,10-11H,4-7,9H2,1-3H3/t11-/m0/s1
InChIKeyUUNLPMXCOYMQLA-NSHDSACASA-N
XLogP0.52
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,2-dimethoxyethyl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 7197187
2-(ethyl(1-methyl-4-(piperidin-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-6-yl)amino)ethanol
CID 7216404
4-Piperidin-1-yl-1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidine
CID 71225871
1-Methyl-4-(4-methylpiperazinyl)pyrazolo[5,4-d]pyrimidine
CID 2808976
1-methyl-6-(4-methylpiperazin-1-yl)-4-(pyrrolidin-1-yl)-1H-pyrazolo[3,4-d]pyrimidine
CID 29136870
4-(1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)morpholine
CID 653309
2,2-dimethyl-N-[1-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]propanamide
CID 71223493
N-(2-methoxyethyl)-1-methyl-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-amine
CID 7216390
4-(3,5-Dimethylpiperidin-1-yl)-1-methylpyrazolo[5,4-d]pyrimidine
CID 16187744
2-(Propan-2-yl)-2h-pyrazolo[3,4-d]pyrimidin-4-amine
CID 240823
6-tert-Butyl-4-(3,3-difluoro-pyrrolidin-1-yl)-1-(tetrahydro-furan-3-yl)-1H-pyrazolo[3,4-d]pyrimidine
CID 85468797
2-{4-amino-1H-pyrazolo[3,4-d]pyrimidin-1-yl}ethan-1-ol
CID 219877

Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine (CID 95345338) is 4-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine is COCCN1CCN(c2ncnc3c2cnn3C)C[C@@H]1C.
What is the InChIKey of 4-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine?
The InChIKey is UUNLPMXCOYMQLA-NSHDSACASA-N. The full InChI is InChI=1S/C14H22N6O/c1-11-9-20(5-4-19(11)6-7-21-3)14-12-8-17-18(2)13(12)15-10-16-14/h8,10-11H,4-7,9H2,1-3H3/t11-/m0/s1.
What are the key properties of 4-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine?
4-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine has a molecular weight of 290.37 g/mol, XLogP of 0.52, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 95345338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).