4-(3-methylbutan-2-ylsulfanyl)-N-propyl-1H-pyrazolo[5,4-d]pyrimidin-6-amine

C13H21N5S — CID 107765545

IUPAC4-(3-methylbutan-2-ylsulfanyl)-N-propyl-1H-pyrazolo[5,4-d]pyrimidin-6-amine
SMILESCCCNc1nc(SC(C)C(C)C)c2cn[nH]c2n1
InChIInChI=1S/C13H21N5S/c1-5-6-14-13-16-11-10(7-15-18-11)12(17-13)19-9(4)8(2)3/h7-9H,5-6H2,1-4H3,(H2,14,15,16,17,18)
InChIKeyORTMREOMUSWZIY-UHFFFAOYSA-N
MW279.41 g/mol
LogP3.31
Rot. Bonds6

About 4-(3-methylbutan-2-ylsulfanyl)-N-propyl-1H-pyrazolo[5,4-d]pyrimidin-6-amine

4-(3-methylbutan-2-ylsulfanyl)-N-propyl-1H-pyrazolo[5,4-d]pyrimidin-6-amine (PubChem CID 107765545) has the molecular formula C13H21N5S and a molecular weight of 279.41 g/mol. Its IUPAC name is 4-(3-methylbutan-2-ylsulfanyl)-N-propyl-1H-pyrazolo[5,4-d]pyrimidin-6-amine.

Molecular Properties

Compound Name4-(3-methylbutan-2-ylsulfanyl)-N-propyl-1H-pyrazolo[5,4-d]pyrimidin-6-amine
PubChem CID107765545
Molecular FormulaC13H21N5S
Molecular Weight279.41 g/mol
Exact Mass279.15
IUPAC Name4-(3-methylbutan-2-ylsulfanyl)-N-propyl-1H-pyrazolo[5,4-d]pyrimidin-6-amine
SMILESCCCNc1nc(SC(C)C(C)C)c2cn[nH]c2n1
InChIInChI=1S/C13H21N5S/c1-5-6-14-13-16-11-10(7-15-18-11)12(17-13)19-9(4)8(2)3/h7-9H,5-6H2,1-4H3,(H2,14,15,16,17,18)
InChIKeyORTMREOMUSWZIY-UHFFFAOYSA-N
XLogP3.31
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1,3-oxazol-2-ylsulfanyl)-N-propyl-1H-pyrazolo[5,4-d]pyrimidin-6-amine
CID 106928233
5-fluoro-4-(3-methylbutan-2-ylsulfanyl)-N-propylpyrimidin-2-amine
CID 107765489
6-N-propyl-4-N-(2,2,3,3-tetrafluoropropyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
CID 106296188
4-N-(3,3-dimethylbutan-2-yl)-6-N-ethyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
CID 104830500
N,6-diethyl-4-(3-methylbutan-2-ylsulfanyl)thieno[2,3-d]pyrimidin-2-amine
CID 107765560
N-ethyl-4-(1H-imidazol-2-ylsulfanyl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine
CID 107784942
4-N-(cyclobutylmethyl)-4-N-ethyl-6-N-propyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
CID 107403121
3-[[6-(ethylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]amino]butan-1-ol
CID 83178553
2,2-dimethyl-3-[[6-(propylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]amino]cyclobutan-1-ol
CID 114632933
3-methyl-1-[6-(propylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]piperidin-4-ol
CID 114683927
5-chloro-N-ethyl-4-(3-methylbutan-2-ylsulfanyl)pyrimidin-2-amine
CID 107765527
3-[[6-(ethylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]amino]-4,4-dimethylpentan-1-ol
CID 106358379

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylbutan-2-ylsulfanyl)-N-propyl-1H-pyrazolo[5,4-d]pyrimidin-6-amine?
The IUPAC name of 4-(3-methylbutan-2-ylsulfanyl)-N-propyl-1H-pyrazolo[5,4-d]pyrimidin-6-amine (CID 107765545) is 4-(3-methylbutan-2-ylsulfanyl)-N-propyl-1H-pyrazolo[5,4-d]pyrimidin-6-amine.
What is the SMILES notation for 4-(3-methylbutan-2-ylsulfanyl)-N-propyl-1H-pyrazolo[5,4-d]pyrimidin-6-amine?
The canonical SMILES for 4-(3-methylbutan-2-ylsulfanyl)-N-propyl-1H-pyrazolo[5,4-d]pyrimidin-6-amine is CCCNc1nc(SC(C)C(C)C)c2cn[nH]c2n1.
What is the InChIKey of 4-(3-methylbutan-2-ylsulfanyl)-N-propyl-1H-pyrazolo[5,4-d]pyrimidin-6-amine?
The InChIKey is ORTMREOMUSWZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5S/c1-5-6-14-13-16-11-10(7-15-18-11)12(17-13)19-9(4)8(2)3/h7-9H,5-6H2,1-4H3,(H2,14,15,16,17,18).
What are the key properties of 4-(3-methylbutan-2-ylsulfanyl)-N-propyl-1H-pyrazolo[5,4-d]pyrimidin-6-amine?
4-(3-methylbutan-2-ylsulfanyl)-N-propyl-1H-pyrazolo[5,4-d]pyrimidin-6-amine has a molecular weight of 279.41 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbutan-2-ylsulfanyl)-N-propyl-1H-pyrazolo[5,4-d]pyrimidin-6-amine is sourced from PubChem (CID 107765545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).