2-tert-butyl-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-6-(methoxymethyl)pyrimidin-4-amine

C19H28N4OS — CID 133404847

IUPAC2-tert-butyl-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-6-(methoxymethyl)pyrimidin-4-amine
SMILESCOCc1cc(NCCN2CCc3sccc3C2)nc(C(C)(C)C)n1
InChIInChI=1S/C19H28N4OS/c1-19(2,3)18-21-15(13-24-4)11-17(22-18)20-7-9-23-8-5-16-14(12-23)6-10-25-16/h6,10-11H,5,7-9,12-13H2,1-4H3,(H,20,21,22)
InChIKeyLMCLDFXTSIZGPA-UHFFFAOYSA-N
MW360.53 g/mol
LogP3.45
Rot. Bonds6

About 2-tert-butyl-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-6-(methoxymethyl)pyrimidin-4-amine

2-tert-butyl-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-6-(methoxymethyl)pyrimidin-4-amine (PubChem CID 133404847) has the molecular formula C19H28N4OS and a molecular weight of 360.53 g/mol. Its IUPAC name is 2-tert-butyl-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-6-(methoxymethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-6-(methoxymethyl)pyrimidin-4-amine
PubChem CID133404847
Molecular FormulaC19H28N4OS
Molecular Weight360.53 g/mol
Exact Mass360.20
IUPAC Name2-tert-butyl-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-6-(methoxymethyl)pyrimidin-4-amine
SMILESCOCc1cc(NCCN2CCc3sccc3C2)nc(C(C)(C)C)n1
InChIInChI=1S/C19H28N4OS/c1-19(2,3)18-21-15(13-24-4)11-17(22-18)20-7-9-23-8-5-16-14(12-23)6-10-25-16/h6,10-11H,5,7-9,12-13H2,1-4H3,(H,20,21,22)
InChIKeyLMCLDFXTSIZGPA-UHFFFAOYSA-N
XLogP3.45
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.53
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-tert-butyl-6-(methoxymethyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]pyrimidin-4-amine
CID 133400878
2-tert-butyl-6-(methoxymethyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidin-4-amine
CID 133400520
5-(2,2-dimethylpropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 176622093
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4,4-dimethyl-N-propylpentan-3-amine
CID 62622978
2-tert-butyl-N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-6-(methoxymethyl)pyrimidin-4-amine
CID 133402443
[2-tert-butyl-6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrimidin-4-yl]hydrazine
CID 80968402
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-ethylpropan-1-amine
CID 61386149
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]acetamide
CID 47139831
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110918076
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-N-ethyl-6-methylpyrimidin-4-amine
CID 80657132
2-tert-butyl-N-(2,2-difluoroethyl)-6-(methoxymethyl)pyrimidin-4-amine
CID 133402707
5-[(3,5-dimethoxyphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 3041283

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-6-(methoxymethyl)pyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-6-(methoxymethyl)pyrimidin-4-amine (CID 133404847) is 2-tert-butyl-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-6-(methoxymethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-6-(methoxymethyl)pyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-6-(methoxymethyl)pyrimidin-4-amine is COCc1cc(NCCN2CCc3sccc3C2)nc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-6-(methoxymethyl)pyrimidin-4-amine?
The InChIKey is LMCLDFXTSIZGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4OS/c1-19(2,3)18-21-15(13-24-4)11-17(22-18)20-7-9-23-8-5-16-14(12-23)6-10-25-16/h6,10-11H,5,7-9,12-13H2,1-4H3,(H,20,21,22).
What are the key properties of 2-tert-butyl-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-6-(methoxymethyl)pyrimidin-4-amine?
2-tert-butyl-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-6-(methoxymethyl)pyrimidin-4-amine has a molecular weight of 360.53 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-6-(methoxymethyl)pyrimidin-4-amine is sourced from PubChem (CID 133404847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).