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

C21H26N4O3S — CID 18168079

IUPACN-[2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ylethyl]thieno[3,2-d]pyrimidin-4-amine
SMILESCCOc1ccc(C(CNc2ncnc3ccsc23)N2CCOCC2)cc1OC
InChIInChI=1S/C21H26N4O3S/c1-3-28-18-5-4-15(12-19(18)26-2)17(25-7-9-27-10-8-25)13-22-21-20-16(6-11-29-20)23-14-24-21/h4-6,11-12,14,17H,3,7-10,13H2,1-2H3,(H,22,23,24)
InChIKeyGVKMKDWXHOVHLA-UHFFFAOYSA-N
MW414.53 g/mol
LogP3.58
Rot. Bonds8

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

N-[2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ylethyl]thieno[3,2-d]pyrimidin-4-amine (PubChem CID 18168079) has the molecular formula C21H26N4O3S and a molecular weight of 414.53 g/mol. Its IUPAC name is N-[2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ylethyl]thieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ylethyl]thieno[3,2-d]pyrimidin-4-amine
PubChem CID18168079
Molecular FormulaC21H26N4O3S
Molecular Weight414.53 g/mol
Exact Mass414.17
IUPAC NameN-[2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ylethyl]thieno[3,2-d]pyrimidin-4-amine
SMILESCCOc1ccc(C(CNc2ncnc3ccsc23)N2CCOCC2)cc1OC
InChIInChI=1S/C21H26N4O3S/c1-3-28-18-5-4-15(12-19(18)26-2)17(25-7-9-27-10-8-25)13-22-21-20-16(6-11-29-20)23-14-24-21/h4-6,11-12,14,17H,3,7-10,13H2,1-2H3,(H,22,23,24)
InChIKeyGVKMKDWXHOVHLA-UHFFFAOYSA-N
XLogP3.58
TPSA68.74 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.53
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-(furan-2-yl)-2-morpholin-4-ylethyl]thieno[3,2-d]pyrimidin-4-amine
CID 138988685
N-[(2R)-2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ylethyl]-2-(trifluoromethyl)quinazolin-4-amine
CID 26012673
2-[[2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ylethyl]amino]benzonitrile
CID 42958425
N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 17482448
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]thieno[2,3-d]pyrimidin-4-amine
CID 17418626
N-[(2R)-2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ylethyl]-4-ethylbenzamide
CID 8893146
N-[(2R)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-3-ethoxy-4-propoxybenzamide
CID 29359882
N-[2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ylethyl]-5-ethyl-4-methylthiophene-2-carboxamide
CID 24647895
N-[2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ylethyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 45354263
2-(3,4-dimethoxyphenyl)-N-(1H-imidazol-2-ylmethyl)-2-morpholin-4-ylethanamine
CID 119110866
N-[1-[[2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 24647913
N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 24646988

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ylethyl]thieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-[2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ylethyl]thieno[3,2-d]pyrimidin-4-amine (CID 18168079) is N-[2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ylethyl]thieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-[2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ylethyl]thieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-[2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ylethyl]thieno[3,2-d]pyrimidin-4-amine is CCOc1ccc(C(CNc2ncnc3ccsc23)N2CCOCC2)cc1OC.
What is the InChIKey of N-[2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ylethyl]thieno[3,2-d]pyrimidin-4-amine?
The InChIKey is GVKMKDWXHOVHLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3S/c1-3-28-18-5-4-15(12-19(18)26-2)17(25-7-9-27-10-8-25)13-22-21-20-16(6-11-29-20)23-14-24-21/h4-6,11-12,14,17H,3,7-10,13H2,1-2H3,(H,22,23,24).
What are the key properties of N-[2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ylethyl]thieno[3,2-d]pyrimidin-4-amine?
N-[2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ylethyl]thieno[3,2-d]pyrimidin-4-amine has a molecular weight of 414.53 g/mol, XLogP of 3.58, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ylethyl]thieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 18168079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).