2-[(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl]-N-propan-2-ylacetamide

C10H14N6OS — CID 114235156

IUPAC2-[(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CSc1nc(N)nc2[nH]ncc12
InChIInChI=1S/C10H14N6OS/c1-5(2)13-7(17)4-18-9-6-3-12-16-8(6)14-10(11)15-9/h3,5H,4H2,1-2H3,(H,13,17)(H3,11,12,14,15,16)
InChIKeyDNEXHYCUVFTLOG-UHFFFAOYSA-N
MW266.33 g/mol
LogP0.55
Rot. Bonds4

About 2-[(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl]-N-propan-2-ylacetamide

2-[(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl]-N-propan-2-ylacetamide (PubChem CID 114235156) has the molecular formula C10H14N6OS and a molecular weight of 266.33 g/mol. Its IUPAC name is 2-[(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl]-N-propan-2-ylacetamide
PubChem CID114235156
Molecular FormulaC10H14N6OS
Molecular Weight266.33 g/mol
Exact Mass266.09
IUPAC Name2-[(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CSc1nc(N)nc2[nH]ncc12
InChIInChI=1S/C10H14N6OS/c1-5(2)13-7(17)4-18-9-6-3-12-16-8(6)14-10(11)15-9/h3,5H,4H2,1-2H3,(H,13,17)(H3,11,12,14,15,16)
InChIKeyDNEXHYCUVFTLOG-UHFFFAOYSA-N
XLogP0.55
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl]-N-propan-2-ylacetamide with MolForge

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Related Compounds

4-propylsulfanyl-1H-pyrazolo[3,4-d]pyrimidine
CID 231437
4-(Methylthio)-1H-pyrazolo(3,4-d)pyrimidine
CID 79452
4-butylsulfanyl-1H-pyrazolo[5,4-d]pyrimidine
CID 231439
4-(heptylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidine
CID 231442
N-butyl-6-butylsulfanyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 168276414
4-allylsulfanyl-1H-pyrazolo[3,4-d]pyrimidine
CID 16729517
2-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanyl)ethanol
CID 16729543
4-(cyclopropylmethylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidine
CID 16729548
2-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanyl)acetonitrile
CID 16729557
N-butyl-6-methylsulfanyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 72721028
1-heptyl-3-propan-2-yl-1-[5-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanyl)pentyl]urea
CID 44292702
4-(Octylthio)-1H-pyrazolo(3,4-d)pyrimidine
CID 231443

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl]-N-propan-2-ylacetamide (CID 114235156) is 2-[(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl]-N-propan-2-ylacetamide is CC(C)NC(=O)CSc1nc(N)nc2[nH]ncc12.
What is the InChIKey of 2-[(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl]-N-propan-2-ylacetamide?
The InChIKey is DNEXHYCUVFTLOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6OS/c1-5(2)13-7(17)4-18-9-6-3-12-16-8(6)14-10(11)15-9/h3,5H,4H2,1-2H3,(H,13,17)(H3,11,12,14,15,16).
What are the key properties of 2-[(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl]-N-propan-2-ylacetamide?
2-[(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl]-N-propan-2-ylacetamide has a molecular weight of 266.33 g/mol, XLogP of 0.55, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl]-N-propan-2-ylacetamide is sourced from PubChem (CID 114235156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).