1-methyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine;dihydrochloride

C10H16Cl2N6 — CID 166000897

IUPAC1-methyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine;dihydrochloride
SMILESCl.Cl.Cn1ncc2c(N3CCNCC3)ncnc21
InChIInChI=1S/C10H14N6.2ClH/c1-15-9-8(6-14-15)10(13-7-12-9)16-4-2-11-3-5-16;;/h6-7,11H,2-5H2,1H3;2*1H
InChIKeyIHXLYUSIDAFPKJ-UHFFFAOYSA-N
MW291.19 g/mol
LogP0.62
Rot. Bonds1

About 1-methyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine;dihydrochloride

1-methyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine;dihydrochloride (PubChem CID 166000897) has the molecular formula C10H16Cl2N6 and a molecular weight of 291.19 g/mol. Its IUPAC name is 1-methyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine;dihydrochloride.

Molecular Properties

Compound Name1-methyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine;dihydrochloride
PubChem CID166000897
Molecular FormulaC10H16Cl2N6
Molecular Weight291.19 g/mol
Exact Mass290.08
IUPAC Name1-methyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine;dihydrochloride
SMILESCl.Cl.Cn1ncc2c(N3CCNCC3)ncnc21
InChIInChI=1S/C10H14N6.2ClH/c1-15-9-8(6-14-15)10(13-7-12-9)16-4-2-11-3-5-16;;/h6-7,11H,2-5H2,1H3;2*1H
InChIKeyIHXLYUSIDAFPKJ-UHFFFAOYSA-N
XLogP0.62
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.19
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine
CID 11356415
1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-one
CID 43088529
1-methyl-4-(4-propan-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine
CID 31290694
1-methyl-4-[4-(9-methylpurin-6-yl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 154853682
1-cyclopropyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine;dihydrochloride
CID 141114356
N,N-dimethyl-1-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]methanamine
CID 47282393
4-methyl-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)azepan-4-ol
CID 107407344
4-[4-(1-chloroethyl)piperidin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine
CID 106838514
[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-piperidin-2-ylmethanone;dihydrochloride
CID 119840107
4-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-ol
CID 110931563
(2S,6S)-2,6-dimethyl-4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine
CID 7197181
(2R)-2-amino-1-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 119840120

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine;dihydrochloride?
The IUPAC name of 1-methyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine;dihydrochloride (CID 166000897) is 1-methyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine;dihydrochloride.
What is the SMILES notation for 1-methyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine;dihydrochloride?
The canonical SMILES for 1-methyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine;dihydrochloride is Cl.Cl.Cn1ncc2c(N3CCNCC3)ncnc21.
What is the InChIKey of 1-methyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine;dihydrochloride?
The InChIKey is IHXLYUSIDAFPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6.2ClH/c1-15-9-8(6-14-15)10(13-7-12-9)16-4-2-11-3-5-16;;/h6-7,11H,2-5H2,1H3;2*1H.
What are the key properties of 1-methyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine;dihydrochloride?
1-methyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine;dihydrochloride has a molecular weight of 291.19 g/mol, XLogP of 0.62, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine;dihydrochloride is sourced from PubChem (CID 166000897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).