5-methylsulfanyl-6-methylsulfonyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine

C14H15N5O2S2 — CID 21034754

IUPAC5-methylsulfanyl-6-methylsulfonyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCSc1nc2ccnn2c(NCc2ccncc2)c1S(C)(=O)=O
InChIInChI=1S/C14H15N5O2S2/c1-22-14-12(23(2,20)21)13(19-11(18-14)5-8-17-19)16-9-10-3-6-15-7-4-10/h3-8,16H,9H2,1-2H3
InChIKeyXUCSFNCVFGUSQZ-UHFFFAOYSA-N
MW349.44 g/mol
LogP1.86
Rot. Bonds5

About 5-methylsulfanyl-6-methylsulfonyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine

5-methylsulfanyl-6-methylsulfonyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 21034754) has the molecular formula C14H15N5O2S2 and a molecular weight of 349.44 g/mol. Its IUPAC name is 5-methylsulfanyl-6-methylsulfonyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-methylsulfanyl-6-methylsulfonyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID21034754
Molecular FormulaC14H15N5O2S2
Molecular Weight349.44 g/mol
Exact Mass349.07
IUPAC Name5-methylsulfanyl-6-methylsulfonyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCSc1nc2ccnn2c(NCc2ccncc2)c1S(C)(=O)=O
InChIInChI=1S/C14H15N5O2S2/c1-22-14-12(23(2,20)21)13(19-11(18-14)5-8-17-19)16-9-10-3-6-15-7-4-10/h3-8,16H,9H2,1-2H3
InChIKeyXUCSFNCVFGUSQZ-UHFFFAOYSA-N
XLogP1.86
TPSA89.25 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-ethyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 56890779
5-propan-2-yl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 70772772
2-methyl-5-methylsulfanyl-7-(pyridin-4-ylmethylamino)pyrazolo[1,5-a]pyrimidine-6-carbonitrile
CID 21034764
2-tert-butyl-4-methylsulfonyl-5-(pyridin-4-ylmethylamino)pyridazin-3-one
CID 19081407
7-(benzylamino)-5-benzylsulfanylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
CID 21034645
N-[4-(pyridin-4-ylmethylamino)phenyl]methanesulfonamide
CID 43725280
7-(benzylamino)-5-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile;molecular hydrogen
CID 158886833
5-propan-2-yl-N-(2-pyridin-4-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 70715488
N-ethyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 141086107
methyl 7-(1,3-dioxolan-2-yloxyamino)-5-methylsulfanylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 21034790
N-(2-methoxyethyl)-2-methylsulfonylpyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 141294822
6-N-methyl-2-methylsulfanyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 80773056

Frequently Asked Questions

What is the IUPAC name of 5-methylsulfanyl-6-methylsulfonyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-methylsulfanyl-6-methylsulfonyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 21034754) is 5-methylsulfanyl-6-methylsulfonyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-methylsulfanyl-6-methylsulfonyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-methylsulfanyl-6-methylsulfonyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine is CSc1nc2ccnn2c(NCc2ccncc2)c1S(C)(=O)=O.
What is the InChIKey of 5-methylsulfanyl-6-methylsulfonyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is XUCSFNCVFGUSQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2S2/c1-22-14-12(23(2,20)21)13(19-11(18-14)5-8-17-19)16-9-10-3-6-15-7-4-10/h3-8,16H,9H2,1-2H3.
What are the key properties of 5-methylsulfanyl-6-methylsulfonyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
5-methylsulfanyl-6-methylsulfonyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 349.44 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfanyl-6-methylsulfonyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 21034754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).