N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]thieno[2,3-d]pyrimidin-4-amine

C19H22N4OS — CID 4798081

IUPACN-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(C(CNc2ncnc3sccc23)N2CCCC2)cc1
InChIInChI=1S/C19H22N4OS/c1-24-15-6-4-14(5-7-15)17(23-9-2-3-10-23)12-20-18-16-8-11-25-19(16)22-13-21-18/h4-8,11,13,17H,2-3,9-10,12H2,1H3,(H,20,21,22)
InChIKeyGHBHUIZSQJQIRS-UHFFFAOYSA-N
MW354.48 g/mol
LogP3.95
Rot. Bonds6

About N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]thieno[2,3-d]pyrimidin-4-amine

N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 4798081) has the molecular formula C19H22N4OS and a molecular weight of 354.48 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID4798081
Molecular FormulaC19H22N4OS
Molecular Weight354.48 g/mol
Exact Mass354.15
IUPAC NameN-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(C(CNc2ncnc3sccc23)N2CCCC2)cc1
InChIInChI=1S/C19H22N4OS/c1-24-15-6-4-14(5-7-15)17(23-9-2-3-10-23)12-20-18-16-8-11-25-19(16)22-13-21-18/h4-8,11,13,17H,2-3,9-10,12H2,1H3,(H,20,21,22)
InChIKeyGHBHUIZSQJQIRS-UHFFFAOYSA-N
XLogP3.95
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]thieno[2,3-d]pyrimidin-4-amine
CID 17418626
N-(2-pyrrolidin-1-ylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 113222136
N-[(4-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 2457693
2-(4-methoxyphenyl)-N-[(3-methylthiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 78809702
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,3-benzothiazol-2-amine
CID 60592256
N-(2-phenyl-2-pyrrolidin-1-ylethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 16627027
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110914147
6-methyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430906
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-methyl-5-nitroimidazol-4-amine
CID 18095511
1-tert-butyl-6-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137260732
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide
CID 17014765
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 110914146

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]thieno[2,3-d]pyrimidin-4-amine (CID 4798081) is N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]thieno[2,3-d]pyrimidin-4-amine is COc1ccc(C(CNc2ncnc3sccc23)N2CCCC2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is GHBHUIZSQJQIRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4OS/c1-24-15-6-4-14(5-7-15)17(23-9-2-3-10-23)12-20-18-16-8-11-25-19(16)22-13-21-18/h4-8,11,13,17H,2-3,9-10,12H2,1H3,(H,20,21,22).
What are the key properties of N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]thieno[2,3-d]pyrimidin-4-amine?
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 354.48 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 4798081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).