5,6-dimethyl-2,3-bis(methylsulfanyl)-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidine

C14H21N5S2 — CID 140999314

IUPAC5,6-dimethyl-2,3-bis(methylsulfanyl)-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidine
SMILESCSc1nn2c(N3CCNCC3)c(C)c(C)nc2c1SC
InChIInChI=1S/C14H21N5S2/c1-9-10(2)16-12-11(20-3)13(21-4)17-19(12)14(9)18-7-5-15-6-8-18/h15H,5-8H2,1-4H3
InChIKeyNIJVXNMMPROORH-UHFFFAOYSA-N
MW323.49 g/mol
LogP2.20
Rot. Bonds3

About 5,6-dimethyl-2,3-bis(methylsulfanyl)-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidine

5,6-dimethyl-2,3-bis(methylsulfanyl)-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidine (PubChem CID 140999314) has the molecular formula C14H21N5S2 and a molecular weight of 323.49 g/mol. Its IUPAC name is 5,6-dimethyl-2,3-bis(methylsulfanyl)-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5,6-dimethyl-2,3-bis(methylsulfanyl)-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidine
PubChem CID140999314
Molecular FormulaC14H21N5S2
Molecular Weight323.49 g/mol
Exact Mass323.12
IUPAC Name5,6-dimethyl-2,3-bis(methylsulfanyl)-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidine
SMILESCSc1nn2c(N3CCNCC3)c(C)c(C)nc2c1SC
InChIInChI=1S/C14H21N5S2/c1-9-10(2)16-12-11(20-3)13(21-4)17-19(12)14(9)18-7-5-15-6-8-18/h15H,5-8H2,1-4H3
InChIKeyNIJVXNMMPROORH-UHFFFAOYSA-N
XLogP2.20
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.49
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5,6-dimethyl-7-piperazin-1-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 82270589
5-ethyl-4-methylsulfanyl-2-piperazin-1-ylpyrimidine
CID 155701510
5,6-dimethyl-4-piperazin-1-ylpyridin-2-amine
CID 175106562
3-(4-tert-butylphenyl)sulfonyl-2,5-dimethyl-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidine-6-thiol
CID 154167322
11-methyl-2-piperazin-1-yl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene
CID 82270592
3-(benzenesulfonyl)-5-tert-butyl-2-methylsulfanyl-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidine
CID 21255054
1-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]piperazine
CID 82513477
4,5-dimethyl-6-piperazin-1-yl-2-pyridin-4-ylpyrimidine
CID 82169374
2-methyl-5-piperazin-1-yl-[1,2,4]triazolo[1,5-c]quinazoline-9-carbonitrile
CID 58475821
5-ethyl-4-methyl-2-piperazin-1-ylpyrimidine
CID 103278300
2-methylsulfanyl-6-piperazin-1-ylpyrimidin-4-amine
CID 77231452
9-bromo-8-fluoro-2-methyl-5-piperazin-1-yl-[1,2,4]triazolo[1,5-c]quinazoline
CID 58475496

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2,3-bis(methylsulfanyl)-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5,6-dimethyl-2,3-bis(methylsulfanyl)-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidine (CID 140999314) is 5,6-dimethyl-2,3-bis(methylsulfanyl)-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5,6-dimethyl-2,3-bis(methylsulfanyl)-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5,6-dimethyl-2,3-bis(methylsulfanyl)-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidine is CSc1nn2c(N3CCNCC3)c(C)c(C)nc2c1SC.
What is the InChIKey of 5,6-dimethyl-2,3-bis(methylsulfanyl)-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidine?
The InChIKey is NIJVXNMMPROORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5S2/c1-9-10(2)16-12-11(20-3)13(21-4)17-19(12)14(9)18-7-5-15-6-8-18/h15H,5-8H2,1-4H3.
What are the key properties of 5,6-dimethyl-2,3-bis(methylsulfanyl)-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidine?
5,6-dimethyl-2,3-bis(methylsulfanyl)-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidine has a molecular weight of 323.49 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2,3-bis(methylsulfanyl)-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 140999314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).