2,2-dimethyl-3-[[6-(propylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]amino]cyclobutan-1-ol

C14H22N6O — CID 114632933

IUPAC2,2-dimethyl-3-[[6-(propylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]amino]cyclobutan-1-ol
SMILESCCCNc1nc(NC2CC(O)C2(C)C)c2cn[nH]c2n1
InChIInChI=1S/C14H22N6O/c1-4-5-15-13-18-11(8-7-16-20-12(8)19-13)17-9-6-10(21)14(9,2)3/h7,9-10,21H,4-6H2,1-3H3,(H3,15,16,17,18,19,20)
InChIKeyHQQDONHYWNCCAW-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.75
Rot. Bonds5

About 2,2-dimethyl-3-[[6-(propylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]amino]cyclobutan-1-ol

2,2-dimethyl-3-[[6-(propylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]amino]cyclobutan-1-ol (PubChem CID 114632933) has the molecular formula C14H22N6O and a molecular weight of 290.37 g/mol. Its IUPAC name is 2,2-dimethyl-3-[[6-(propylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]amino]cyclobutan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-[[6-(propylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]amino]cyclobutan-1-ol
PubChem CID114632933
Molecular FormulaC14H22N6O
Molecular Weight290.37 g/mol
Exact Mass290.19
IUPAC Name2,2-dimethyl-3-[[6-(propylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]amino]cyclobutan-1-ol
SMILESCCCNc1nc(NC2CC(O)C2(C)C)c2cn[nH]c2n1
InChIInChI=1S/C14H22N6O/c1-4-5-15-13-18-11(8-7-16-20-12(8)19-13)17-9-6-10(21)14(9,2)3/h7,9-10,21H,4-6H2,1-3H3,(H3,15,16,17,18,19,20)
InChIKeyHQQDONHYWNCCAW-UHFFFAOYSA-N
XLogP1.75
TPSA98.75 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2,2-dimethyl-3-[[6-(propylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]amino]cyclobutan-1-ol with MolForge

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Related Compounds

2,2-dimethyl-3-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol
CID 114632953
6-N-propyl-4-N-(2,2,3,3-tetrafluoropropyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
CID 106296188
3-[(2-hydrazinylquinazolin-4-yl)amino]-2,2-dimethylcyclobutan-1-ol
CID 114633032
2,2-dimethyl-3-[[6-(propylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol
CID 114632888
3-methyl-1-[6-(propylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]piperidin-4-ol
CID 114683927
2,2-dimethyl-3-[[2-(methylamino)quinazolin-4-yl]amino]cyclobutan-1-ol
CID 114632932
3-(1H-indazol-6-ylamino)-2,2-dimethylcyclobutan-1-ol
CID 112633697
4-N-(3,3-dimethylbutan-2-yl)-6-N-ethyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
CID 104830500
4-N-(cyclobutylmethyl)-4-N-ethyl-6-N-propyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
CID 107403121
3-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-2,2-dimethylcyclobutan-1-ol
CID 103322667
2-[[6-(ethylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]amino]ethyl carbamate
CID 83215771
4-(3-methylbutan-2-ylsulfanyl)-N-propyl-1H-pyrazolo[5,4-d]pyrimidin-6-amine
CID 107765545

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[[6-(propylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]amino]cyclobutan-1-ol?
The IUPAC name of 2,2-dimethyl-3-[[6-(propylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]amino]cyclobutan-1-ol (CID 114632933) is 2,2-dimethyl-3-[[6-(propylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]amino]cyclobutan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-[[6-(propylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]amino]cyclobutan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-[[6-(propylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]amino]cyclobutan-1-ol is CCCNc1nc(NC2CC(O)C2(C)C)c2cn[nH]c2n1.
What is the InChIKey of 2,2-dimethyl-3-[[6-(propylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]amino]cyclobutan-1-ol?
The InChIKey is HQQDONHYWNCCAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O/c1-4-5-15-13-18-11(8-7-16-20-12(8)19-13)17-9-6-10(21)14(9,2)3/h7,9-10,21H,4-6H2,1-3H3,(H3,15,16,17,18,19,20).
What are the key properties of 2,2-dimethyl-3-[[6-(propylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]amino]cyclobutan-1-ol?
2,2-dimethyl-3-[[6-(propylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]amino]cyclobutan-1-ol has a molecular weight of 290.37 g/mol, XLogP of 1.75, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[[6-(propylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]amino]cyclobutan-1-ol is sourced from PubChem (CID 114632933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).