7-[(2-propylsulfanylpyrimidin-5-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine

C14H19N5S — CID 56897964

IUPAC7-[(2-propylsulfanylpyrimidin-5-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
SMILESCCCSc1ncc(CN2CCn3cncc3C2)cn1
InChIInChI=1S/C14H19N5S/c1-2-5-20-14-16-6-12(7-17-14)9-18-3-4-19-11-15-8-13(19)10-18/h6-8,11H,2-5,9-10H2,1H3
InChIKeyFNBKCSZMWMZPFV-UHFFFAOYSA-N
MW289.41 g/mol
LogP2.19
Rot. Bonds5

About 7-[(2-propylsulfanylpyrimidin-5-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine

7-[(2-propylsulfanylpyrimidin-5-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine (PubChem CID 56897964) has the molecular formula C14H19N5S and a molecular weight of 289.41 g/mol. Its IUPAC name is 7-[(2-propylsulfanylpyrimidin-5-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine.

Molecular Properties

Compound Name7-[(2-propylsulfanylpyrimidin-5-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
PubChem CID56897964
Molecular FormulaC14H19N5S
Molecular Weight289.41 g/mol
Exact Mass289.14
IUPAC Name7-[(2-propylsulfanylpyrimidin-5-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
SMILESCCCSc1ncc(CN2CCn3cncc3C2)cn1
InChIInChI=1S/C14H19N5S/c1-2-5-20-14-16-6-12(7-17-14)9-18-3-4-19-11-15-8-13(19)10-18/h6-8,11H,2-5,9-10H2,1H3
InChIKeyFNBKCSZMWMZPFV-UHFFFAOYSA-N
XLogP2.19
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.41
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-[(2-propylsulfanylpyrimidin-5-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine with MolForge

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Related Compounds

5-{[4-(3,6-Dimethylpyrazin-2-yl)piperazin-1-yl]methyl}-2-(ethylthio)pyrimidine
CID 56709413
(2-{2-[2-(ethylthio)pyrimidin-5-yl]-1H-imidazol-1-yl}ethyl)dimethylamine
CID 56874529
3-(Ethylsulfanyl)imidazo[1,5-a]pyrazine
CID 298356
2-(((4-Methylpyrimidin-2-yl)thio)methyl)imidazo[1,2-a]pyrimidine
CID 700171
Imidazo[1,2-a]pyrimidin-2-ylmethyl diethylcarbamodithioate
CID 700181
3-(5-Fluoro-4-methylsulfanylpyrimidin-2-yl)-6-methylimidazo[1,2-a]pyrazine
CID 139359746
5-Methyl-2-(4-{[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl}piperazin-1-yl)pyrimidine
CID 171333791
3-Ethylsulfinylimidazo[1,5-a]pyrazine
CID 298357
2-((Imidazo[1,2-a]pyrimidin-2-ylmethyl)thio)-4,5-dihydrothiazole
CID 694270
2-(4-Hydroimidazo[1,2-a]pyrimidin-2-ylmethylthio)pyrimidine
CID 700168
Imidazo[1,2-a]pyrimidin-2-ylmethyl 4-ethylpiperazine-1-carbodithioate
CID 3333502
Imidazo[1,2-a]pyrimidin-2-ylmethyl 4-methylpiperidine-1-carbodithioate
CID 3530068

Frequently Asked Questions

What is the IUPAC name of 7-[(2-propylsulfanylpyrimidin-5-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine?
The IUPAC name of 7-[(2-propylsulfanylpyrimidin-5-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine (CID 56897964) is 7-[(2-propylsulfanylpyrimidin-5-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine.
What is the SMILES notation for 7-[(2-propylsulfanylpyrimidin-5-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine?
The canonical SMILES for 7-[(2-propylsulfanylpyrimidin-5-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine is CCCSc1ncc(CN2CCn3cncc3C2)cn1.
What is the InChIKey of 7-[(2-propylsulfanylpyrimidin-5-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine?
The InChIKey is FNBKCSZMWMZPFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5S/c1-2-5-20-14-16-6-12(7-17-14)9-18-3-4-19-11-15-8-13(19)10-18/h6-8,11H,2-5,9-10H2,1H3.
What are the key properties of 7-[(2-propylsulfanylpyrimidin-5-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine?
7-[(2-propylsulfanylpyrimidin-5-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine has a molecular weight of 289.41 g/mol, XLogP of 2.19, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-propylsulfanylpyrimidin-5-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine is sourced from PubChem (CID 56897964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).