5-[4-[(5-methyl-2-methylsulfanylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyrazolo[1,5-a]pyrimidine

C18H22N6OS — CID 155799047

IUPAC5-[4-[(5-methyl-2-methylsulfanylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyrazolo[1,5-a]pyrimidine
SMILESCSc1ncc(C)c(OCC2CCN(c3ccn4nccc4n3)CC2)n1
InChIInChI=1S/C18H22N6OS/c1-13-11-19-18(26-2)22-17(13)25-12-14-4-8-23(9-5-14)15-6-10-24-16(21-15)3-7-20-24/h3,6-7,10-11,14H,4-5,8-9,12H2,1-2H3
InChIKeyDMOSZWDJNTUUOK-UHFFFAOYSA-N
MW370.48 g/mol
LogP2.85
Rot. Bonds5

About 5-[4-[(5-methyl-2-methylsulfanylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyrazolo[1,5-a]pyrimidine

5-[4-[(5-methyl-2-methylsulfanylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyrazolo[1,5-a]pyrimidine (PubChem CID 155799047) has the molecular formula C18H22N6OS and a molecular weight of 370.48 g/mol. Its IUPAC name is 5-[4-[(5-methyl-2-methylsulfanylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-[4-[(5-methyl-2-methylsulfanylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyrazolo[1,5-a]pyrimidine
PubChem CID155799047
Molecular FormulaC18H22N6OS
Molecular Weight370.48 g/mol
Exact Mass370.16
IUPAC Name5-[4-[(5-methyl-2-methylsulfanylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyrazolo[1,5-a]pyrimidine
SMILESCSc1ncc(C)c(OCC2CCN(c3ccn4nccc4n3)CC2)n1
InChIInChI=1S/C18H22N6OS/c1-13-11-19-18(26-2)22-17(13)25-12-14-4-8-23(9-5-14)15-6-10-24-16(21-15)3-7-20-24/h3,6-7,10-11,14H,4-5,8-9,12H2,1-2H3
InChIKeyDMOSZWDJNTUUOK-UHFFFAOYSA-N
XLogP2.85
TPSA68.44 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-[4-[(5-methyl-2-methylsulfanylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyrazolo[1,5-a]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[4-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]pyrazolo[1,5-a]pyrimidine
CID 171704384
N-[(1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-4-yl)methyl]cyclopropanamine
CID 115373022
4-[4-[(5,6-dimethyl-2-methylsulfanylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyrazolo[1,5-a]pyrazine
CID 163354367
2-methylsulfanyl-4-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]pyrimidine
CID 166605956
ethyl 1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidine-4-carboxylate
CID 115372977
2-methylsulfanyl-4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine
CID 154583173
5-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine
CID 151310719
5-bromo-4-[4-[(3-methylpyrazin-2-yl)oxymethyl]piperidin-1-yl]-2-methylsulfanylpyrimidine
CID 165435366
5-(3-fluoropyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidine
CID 171700855
N-methyl-1-(1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-4-yl)ethanamine
CID 115371982
2-(1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-4-yl)oxyacetic acid
CID 115372075
2-[(1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-3-yl)methoxy]-1,3-thiazole
CID 163356995

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(5-methyl-2-methylsulfanylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-[4-[(5-methyl-2-methylsulfanylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyrazolo[1,5-a]pyrimidine (CID 155799047) is 5-[4-[(5-methyl-2-methylsulfanylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-[4-[(5-methyl-2-methylsulfanylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-[4-[(5-methyl-2-methylsulfanylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyrazolo[1,5-a]pyrimidine is CSc1ncc(C)c(OCC2CCN(c3ccn4nccc4n3)CC2)n1.
What is the InChIKey of 5-[4-[(5-methyl-2-methylsulfanylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyrazolo[1,5-a]pyrimidine?
The InChIKey is DMOSZWDJNTUUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6OS/c1-13-11-19-18(26-2)22-17(13)25-12-14-4-8-23(9-5-14)15-6-10-24-16(21-15)3-7-20-24/h3,6-7,10-11,14H,4-5,8-9,12H2,1-2H3.
What are the key properties of 5-[4-[(5-methyl-2-methylsulfanylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyrazolo[1,5-a]pyrimidine?
5-[4-[(5-methyl-2-methylsulfanylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyrazolo[1,5-a]pyrimidine has a molecular weight of 370.48 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(5-methyl-2-methylsulfanylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 155799047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).