N-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1H-pyrazolo[5,4-d]pyrimidin-6-amine

C10H10N6OS — CID 106928566

IUPACN-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1H-pyrazolo[5,4-d]pyrimidin-6-amine
SMILESCNc1nc(Sc2nc(C)co2)c2cn[nH]c2n1
InChIInChI=1S/C10H10N6OS/c1-5-4-17-10(13-5)18-8-6-3-12-16-7(6)14-9(11-2)15-8/h3-4H,1-2H3,(H2,11,12,14,15,16)
InChIKeyVJBXZAMCJIDKMA-UHFFFAOYSA-N
MW262.30 g/mol
LogP1.84
Rot. Bonds3

About N-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1H-pyrazolo[5,4-d]pyrimidin-6-amine

N-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1H-pyrazolo[5,4-d]pyrimidin-6-amine (PubChem CID 106928566) has the molecular formula C10H10N6OS and a molecular weight of 262.30 g/mol. Its IUPAC name is N-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1H-pyrazolo[5,4-d]pyrimidin-6-amine.

Molecular Properties

Compound NameN-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1H-pyrazolo[5,4-d]pyrimidin-6-amine
PubChem CID106928566
Molecular FormulaC10H10N6OS
Molecular Weight262.30 g/mol
Exact Mass262.06
IUPAC NameN-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1H-pyrazolo[5,4-d]pyrimidin-6-amine
SMILESCNc1nc(Sc2nc(C)co2)c2cn[nH]c2n1
InChIInChI=1S/C10H10N6OS/c1-5-4-17-10(13-5)18-8-6-3-12-16-7(6)14-9(11-2)15-8/h3-4H,1-2H3,(H2,11,12,14,15,16)
InChIKeyVJBXZAMCJIDKMA-UHFFFAOYSA-N
XLogP1.84
TPSA92.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1H-pyrazolo[5,4-d]pyrimidin-6-amine with MolForge

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Related Compounds

N-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinazolin-2-amine
CID 106928504
4-(1,3-oxazol-2-ylsulfanyl)-N-propyl-1H-pyrazolo[5,4-d]pyrimidin-6-amine
CID 106928233
N-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 106928501
5-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-N-propylpyrimidin-2-amine
CID 106928450
5-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-2-amine
CID 106928532
2-tert-butyl-N,5-dimethyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-4-amine
CID 106928408
[3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrazin-2-yl]methanamine
CID 106923706
2,5-dimethyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-4-amine
CID 106928551
N-ethyl-4-(1H-imidazol-2-ylsulfanyl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine
CID 107784942
5-bromo-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyridin-3-amine
CID 106921576
2,3-dimethyl-3-[[6-(methylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]amino]butan-2-ol
CID 106198492
6-N-methyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
CID 106424196

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1H-pyrazolo[5,4-d]pyrimidin-6-amine?
The IUPAC name of N-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1H-pyrazolo[5,4-d]pyrimidin-6-amine (CID 106928566) is N-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1H-pyrazolo[5,4-d]pyrimidin-6-amine.
What is the SMILES notation for N-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1H-pyrazolo[5,4-d]pyrimidin-6-amine?
The canonical SMILES for N-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1H-pyrazolo[5,4-d]pyrimidin-6-amine is CNc1nc(Sc2nc(C)co2)c2cn[nH]c2n1.
What is the InChIKey of N-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1H-pyrazolo[5,4-d]pyrimidin-6-amine?
The InChIKey is VJBXZAMCJIDKMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N6OS/c1-5-4-17-10(13-5)18-8-6-3-12-16-7(6)14-9(11-2)15-8/h3-4H,1-2H3,(H2,11,12,14,15,16).
What are the key properties of N-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1H-pyrazolo[5,4-d]pyrimidin-6-amine?
N-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1H-pyrazolo[5,4-d]pyrimidin-6-amine has a molecular weight of 262.30 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1H-pyrazolo[5,4-d]pyrimidin-6-amine is sourced from PubChem (CID 106928566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).