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

C20H20N6S — CID 46405182

IUPAC7-methyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
SMILESCC1CCc2c(sc3ncnc(NCc4ccnc(-n5cccn5)c4)c23)C1
InChIInChI=1S/C20H20N6S/c1-13-3-4-15-16(9-13)27-20-18(15)19(23-12-24-20)22-11-14-5-7-21-17(10-14)26-8-2-6-25-26/h2,5-8,10,12-13H,3-4,9,11H2,1H3,(H,22,23,24)
InChIKeyGJCSSWSJSULJBU-UHFFFAOYSA-N
MW376.49 g/mol
LogP4.01
Rot. Bonds4

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

7-methyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine (PubChem CID 46405182) has the molecular formula C20H20N6S and a molecular weight of 376.49 g/mol. Its IUPAC name is 7-methyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-methyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
PubChem CID46405182
Molecular FormulaC20H20N6S
Molecular Weight376.49 g/mol
Exact Mass376.15
IUPAC Name7-methyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
SMILESCC1CCc2c(sc3ncnc(NCc4ccnc(-n5cccn5)c4)c23)C1
InChIInChI=1S/C20H20N6S/c1-13-3-4-15-16(9-13)27-20-18(15)19(23-12-24-20)22-11-14-5-7-21-17(10-14)26-8-2-6-25-26/h2,5-8,10,12-13H,3-4,9,11H2,1H3,(H,22,23,24)
InChIKeyGJCSSWSJSULJBU-UHFFFAOYSA-N
XLogP4.01
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.49
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

7-methyl-N-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 4574199
(7S)-7-methyl-N-[(4-methylphenyl)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 2445190
(7R)-7-methyl-N-(pyridin-2-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 40553175
7-methyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 46683671
ethyl 5-methyl-4-[(2-pyrazol-1-yl-4-pyridinyl)methylamino]thieno[2,3-d]pyrimidine-6-carboxylate
CID 32805788
(7S)-7-methyl-N-prop-2-ynyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 9251872
N',N'-dimethyl-N-[(7R)-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]ethane-1,2-diamine
CID 9280709
N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 55680635
2-[[(7R)-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]amino]acetate
CID 6928059
N-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methyl]-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 18125477
(7R)-7-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 27818019
5-[(7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol
CID 2791856

Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7-methyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine (CID 46405182) is 7-methyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-methyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-methyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine is CC1CCc2c(sc3ncnc(NCc4ccnc(-n5cccn5)c4)c23)C1.
What is the InChIKey of 7-methyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine?
The InChIKey is GJCSSWSJSULJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6S/c1-13-3-4-15-16(9-13)27-20-18(15)19(23-12-24-20)22-11-14-5-7-21-17(10-14)26-8-2-6-25-26/h2,5-8,10,12-13H,3-4,9,11H2,1H3,(H,22,23,24).
What are the key properties of 7-methyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine?
7-methyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine has a molecular weight of 376.49 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 46405182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).