N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-pyrazin-2-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine

C19H19N7OS — CID 75401539

IUPACN-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-pyrazin-2-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
SMILESCc1nc(CN(C)c2nc(-c3cnccn3)nc3sc4c(c23)CCCC4)no1
InChIInChI=1S/C19H19N7OS/c1-11-22-15(25-27-11)10-26(2)18-16-12-5-3-4-6-14(12)28-19(16)24-17(23-18)13-9-20-7-8-21-13/h7-9H,3-6,10H2,1-2H3
InChIKeyXKDAULXKPULGKS-UHFFFAOYSA-N
MW393.48 g/mol
LogP3.35
Rot. Bonds4

About N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-pyrazin-2-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine

N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-pyrazin-2-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine (PubChem CID 75401539) has the molecular formula C19H19N7OS and a molecular weight of 393.48 g/mol. Its IUPAC name is N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-pyrazin-2-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-pyrazin-2-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
PubChem CID75401539
Molecular FormulaC19H19N7OS
Molecular Weight393.48 g/mol
Exact Mass393.14
IUPAC NameN-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-pyrazin-2-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
SMILESCc1nc(CN(C)c2nc(-c3cnccn3)nc3sc4c(c23)CCCC4)no1
InChIInChI=1S/C19H19N7OS/c1-11-22-15(25-27-11)10-26(2)18-16-12-5-3-4-6-14(12)28-19(16)24-17(23-18)13-9-20-7-8-21-13/h7-9H,3-6,10H2,1-2H3
InChIKeyXKDAULXKPULGKS-UHFFFAOYSA-N
XLogP3.35
TPSA93.72 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.48
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-pyrazin-2-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

4-(1H-imidazol-1-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine
CID 796774
N-Methyl-2-{[5-phenyl-2-(pyridin-2-YL)thieno[2,3-D]pyrimidin-4-YL]amino}acetamide
CID 17404784
6-Benzyl-2-(1-methyl-1H-imidazol-4-yl)-thieno[2,3-d]pyrimidin-4-ylamine
CID 45275820
4-(2-Methylimidazol-1-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
CID 800327
[4-(7-tert-Butyl-2-methyl-5,6,7,8-tetrahydro-benzo[4,5]thieno[2,3-d]pyrimidin-4-yl)-piperazin-1-yl]-pyrazin-2-yl-methanone
CID 3197456
(S)-3-(1-(4-(benzo[b]thiophen-2-yl)pyrimidin-2-yl)piperidin-3-yl)-1-ethyl-1H-imidazo[4,5-b]pyridin-2(3H)-one
CID 54585156
N-[(E)-1-pyrazin-2-ylethylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 134138940
2-methyl-N-[(e)-1-pyrazin-2-ylethylideneamino]-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-amine
CID 134156491
(2-Methyl(5,6,7,8-tetrahydrobenzo[b]thiopheno[3,2-e]pyrimidin-4-yl))(2-pyridyl methyl)amine
CID 769810
N-[[4-[4-[(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl]-N-ethylethanamine
CID 16367252
N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 18286525
5-[[4-(6-Phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 25603058

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-pyrazin-2-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-pyrazin-2-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine (CID 75401539) is N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-pyrazin-2-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-pyrazin-2-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-pyrazin-2-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine is Cc1nc(CN(C)c2nc(-c3cnccn3)nc3sc4c(c23)CCCC4)no1.
What is the InChIKey of N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-pyrazin-2-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine?
The InChIKey is XKDAULXKPULGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7OS/c1-11-22-15(25-27-11)10-26(2)18-16-12-5-3-4-6-14(12)28-19(16)24-17(23-18)13-9-20-7-8-21-13/h7-9H,3-6,10H2,1-2H3.
What are the key properties of N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-pyrazin-2-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine?
N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-pyrazin-2-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine has a molecular weight of 393.48 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-pyrazin-2-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 75401539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).