3-methyl-1-[6-(propylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]piperidin-4-ol

C14H22N6O — CID 114683927

IUPAC3-methyl-1-[6-(propylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]piperidin-4-ol
SMILESCCCNc1nc(N2CCC(O)C(C)C2)c2cn[nH]c2n1
InChIInChI=1S/C14H22N6O/c1-3-5-15-14-17-12-10(7-16-19-12)13(18-14)20-6-4-11(21)9(2)8-20/h7,9,11,21H,3-6,8H2,1-2H3,(H2,15,16,17,18,19)
InChIKeyVIJCCUJMKCCVSG-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.38
Rot. Bonds4

About 3-methyl-1-[6-(propylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]piperidin-4-ol

3-methyl-1-[6-(propylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]piperidin-4-ol (PubChem CID 114683927) has the molecular formula C14H22N6O and a molecular weight of 290.37 g/mol. Its IUPAC name is 3-methyl-1-[6-(propylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]piperidin-4-ol.

Molecular Properties

Compound Name3-methyl-1-[6-(propylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]piperidin-4-ol
PubChem CID114683927
Molecular FormulaC14H22N6O
Molecular Weight290.37 g/mol
Exact Mass290.19
IUPAC Name3-methyl-1-[6-(propylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]piperidin-4-ol
SMILESCCCNc1nc(N2CCC(O)C(C)C2)c2cn[nH]c2n1
InChIInChI=1S/C14H22N6O/c1-3-5-15-14-17-12-10(7-16-19-12)13(18-14)20-6-4-11(21)9(2)8-20/h7,9,11,21H,3-6,8H2,1-2H3,(H2,15,16,17,18,19)
InChIKeyVIJCCUJMKCCVSG-UHFFFAOYSA-N
XLogP1.38
TPSA89.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-methyl-1-[6-(propylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]piperidin-4-ol with MolForge

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Related Compounds

[1-(6-hydrazinyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]methanol
CID 112629759
N-ethyl-4-(3-methoxypiperidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine
CID 102971502
[4-[6-(ethylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]-6-methylmorpholin-2-yl]methanol
CID 102939124
[1-(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]methanol
CID 178104863
1-[5-methyl-2-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol
CID 80824081
1-[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]-3-methylpiperidin-4-ol
CID 103330689
[1-[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]pyrrolidin-3-yl]methanol
CID 103329632
3-methyl-1-[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]piperidin-4-ol
CID 114684012
5-chloro-4-(3,4-dimethylpyrrolidin-1-yl)-N-propylpyrimidin-2-amine
CID 80848714
2,2-dimethyl-3-[[6-(propylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]amino]cyclobutan-1-ol
CID 114632933
1-[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]-3-methylpiperidin-4-ol
CID 114683989
1-[7-methyl-2-(propylamino)pyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-ol
CID 67775139

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[6-(propylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]piperidin-4-ol?
The IUPAC name of 3-methyl-1-[6-(propylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]piperidin-4-ol (CID 114683927) is 3-methyl-1-[6-(propylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]piperidin-4-ol.
What is the SMILES notation for 3-methyl-1-[6-(propylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]piperidin-4-ol?
The canonical SMILES for 3-methyl-1-[6-(propylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]piperidin-4-ol is CCCNc1nc(N2CCC(O)C(C)C2)c2cn[nH]c2n1.
What is the InChIKey of 3-methyl-1-[6-(propylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]piperidin-4-ol?
The InChIKey is VIJCCUJMKCCVSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O/c1-3-5-15-14-17-12-10(7-16-19-12)13(18-14)20-6-4-11(21)9(2)8-20/h7,9,11,21H,3-6,8H2,1-2H3,(H2,15,16,17,18,19).
What are the key properties of 3-methyl-1-[6-(propylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]piperidin-4-ol?
3-methyl-1-[6-(propylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]piperidin-4-ol has a molecular weight of 290.37 g/mol, XLogP of 1.38, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[6-(propylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]piperidin-4-ol is sourced from PubChem (CID 114683927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).