N-[2-(3,5-dimethylpyrazol-1-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine

C19H26N6S — CID 2026185

IUPACN-[2-(3,5-dimethylpyrazol-1-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine
SMILESCc1cc(C)n(-c2nc(NCCN(C)C)c3c4c(sc3n2)CCCC4)n1
InChIInChI=1S/C19H26N6S/c1-12-11-13(2)25(23-12)19-21-17(20-9-10-24(3)4)16-14-7-5-6-8-15(14)26-18(16)22-19/h11H,5-10H2,1-4H3,(H,20,21,22)
InChIKeyRXWNYEHHUIONND-UHFFFAOYSA-N
MW370.53 g/mol
LogP3.35
Rot. Bonds5

About N-[2-(3,5-dimethylpyrazol-1-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine

N-[2-(3,5-dimethylpyrazol-1-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 2026185) has the molecular formula C19H26N6S and a molecular weight of 370.53 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazol-1-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine
PubChem CID2026185
Molecular FormulaC19H26N6S
Molecular Weight370.53 g/mol
Exact Mass370.19
IUPAC NameN-[2-(3,5-dimethylpyrazol-1-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine
SMILESCc1cc(C)n(-c2nc(NCCN(C)C)c3c4c(sc3n2)CCCC4)n1
InChIInChI=1S/C19H26N6S/c1-12-11-13(2)25(23-12)19-21-17(20-9-10-24(3)4)16-14-7-5-6-8-15(14)26-18(16)22-19/h11H,5-10H2,1-4H3,(H,20,21,22)
InChIKeyRXWNYEHHUIONND-UHFFFAOYSA-N
XLogP3.35
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.53
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-(3,5-dimethylpyrazol-1-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine (CID 2026185) is N-[2-(3,5-dimethylpyrazol-1-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine is Cc1cc(C)n(-c2nc(NCCN(C)C)c3c4c(sc3n2)CCCC4)n1.
What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is RXWNYEHHUIONND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6S/c1-12-11-13(2)25(23-12)19-21-17(20-9-10-24(3)4)16-14-7-5-6-8-15(14)26-18(16)22-19/h11H,5-10H2,1-4H3,(H,20,21,22).
What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine?
N-[2-(3,5-dimethylpyrazol-1-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 370.53 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpyrazol-1-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 2026185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).