4-(cyclopropylmethylsulfanyl)-1H-pyrazolo[5,4-d]pyrimidine

C9H10N4S — CID 16729548

IUPAC4-(cyclopropylmethylsulfanyl)-1H-pyrazolo[5,4-d]pyrimidine
SMILESc1nc(SCC2CC2)c2cn[nH]c2n1
InChIInChI=1S/C9H10N4S/c1-2-6(1)4-14-9-7-3-12-13-8(7)10-5-11-9/h3,5-6H,1-2,4H2,(H,10,11,12,13)
InChIKeyIYHFTYDPRGSSII-UHFFFAOYSA-N
MW206.27 g/mol
LogP1.86
Rot. Bonds3

About 4-(cyclopropylmethylsulfanyl)-1H-pyrazolo[5,4-d]pyrimidine

4-(cyclopropylmethylsulfanyl)-1H-pyrazolo[5,4-d]pyrimidine (PubChem CID 16729548) has the molecular formula C9H10N4S and a molecular weight of 206.27 g/mol. Its IUPAC name is 4-(cyclopropylmethylsulfanyl)-1H-pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-(cyclopropylmethylsulfanyl)-1H-pyrazolo[5,4-d]pyrimidine
PubChem CID16729548
Molecular FormulaC9H10N4S
Molecular Weight206.27 g/mol
Exact Mass206.06
IUPAC Name4-(cyclopropylmethylsulfanyl)-1H-pyrazolo[5,4-d]pyrimidine
SMILESc1nc(SCC2CC2)c2cn[nH]c2n1
InChIInChI=1S/C9H10N4S/c1-2-6(1)4-14-9-7-3-12-13-8(7)10-5-11-9/h3,5-6H,1-2,4H2,(H,10,11,12,13)
InChIKeyIYHFTYDPRGSSII-UHFFFAOYSA-N
XLogP1.86
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethylsulfanyl)-1H-pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4-(cyclopropylmethylsulfanyl)-1H-pyrazolo[5,4-d]pyrimidine (CID 16729548) is 4-(cyclopropylmethylsulfanyl)-1H-pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-(cyclopropylmethylsulfanyl)-1H-pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-(cyclopropylmethylsulfanyl)-1H-pyrazolo[5,4-d]pyrimidine is c1nc(SCC2CC2)c2cn[nH]c2n1.
What is the InChIKey of 4-(cyclopropylmethylsulfanyl)-1H-pyrazolo[5,4-d]pyrimidine?
The InChIKey is IYHFTYDPRGSSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4S/c1-2-6(1)4-14-9-7-3-12-13-8(7)10-5-11-9/h3,5-6H,1-2,4H2,(H,10,11,12,13).
What are the key properties of 4-(cyclopropylmethylsulfanyl)-1H-pyrazolo[5,4-d]pyrimidine?
4-(cyclopropylmethylsulfanyl)-1H-pyrazolo[5,4-d]pyrimidine has a molecular weight of 206.27 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethylsulfanyl)-1H-pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 16729548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).