N-(3-methoxyphenyl)-6-methylsulfonyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine

C13H13N5O3S — CID 11088468

IUPACN-(3-methoxyphenyl)-6-methylsulfonyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCOc1cccc(Nc2nc(S(C)(=O)=O)nc3[nH]ncc23)c1
InChIInChI=1S/C13H13N5O3S/c1-21-9-5-3-4-8(6-9)15-11-10-7-14-18-12(10)17-13(16-11)22(2,19)20/h3-7H,1-2H3,(H2,14,15,16,17,18)
InChIKeyMMGDPYOWNKESPZ-UHFFFAOYSA-N
MW319.35 g/mol
LogP1.51
Rot. Bonds4

About N-(3-methoxyphenyl)-6-methylsulfonyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine

N-(3-methoxyphenyl)-6-methylsulfonyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 11088468) has the molecular formula C13H13N5O3S and a molecular weight of 319.35 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-6-methylsulfonyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-6-methylsulfonyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID11088468
Molecular FormulaC13H13N5O3S
Molecular Weight319.35 g/mol
Exact Mass319.07
IUPAC NameN-(3-methoxyphenyl)-6-methylsulfonyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCOc1cccc(Nc2nc(S(C)(=O)=O)nc3[nH]ncc23)c1
InChIInChI=1S/C13H13N5O3S/c1-21-9-5-3-4-8(6-9)15-11-10-7-14-18-12(10)17-13(16-11)22(2,19)20/h3-7H,1-2H3,(H2,14,15,16,17,18)
InChIKeyMMGDPYOWNKESPZ-UHFFFAOYSA-N
XLogP1.51
TPSA109.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.35
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-6-methylsulfonyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-(3-methoxyphenyl)-6-methylsulfonyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine (CID 11088468) is N-(3-methoxyphenyl)-6-methylsulfonyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(3-methoxyphenyl)-6-methylsulfonyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(3-methoxyphenyl)-6-methylsulfonyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine is COc1cccc(Nc2nc(S(C)(=O)=O)nc3[nH]ncc23)c1.
What is the InChIKey of N-(3-methoxyphenyl)-6-methylsulfonyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is MMGDPYOWNKESPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O3S/c1-21-9-5-3-4-8(6-9)15-11-10-7-14-18-12(10)17-13(16-11)22(2,19)20/h3-7H,1-2H3,(H2,14,15,16,17,18).
What are the key properties of N-(3-methoxyphenyl)-6-methylsulfonyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
N-(3-methoxyphenyl)-6-methylsulfonyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 319.35 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-6-methylsulfonyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 11088468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).