4-[2-(3-methoxyphenyl)ethylamino]-5-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide

C22H23N5O3S — CID 42541545

IUPAC4-[2-(3-methoxyphenyl)ethylamino]-5-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOc1cccc(CCNc2ncnc3sc(C(=O)NCc4cc(C)no4)c(C)c23)c1
InChIInChI=1S/C22H23N5O3S/c1-13-9-17(30-27-13)11-24-21(28)19-14(2)18-20(25-12-26-22(18)31-19)23-8-7-15-5-4-6-16(10-15)29-3/h4-6,9-10,12H,7-8,11H2,1-3H3,(H,24,28)(H,23,25,26)
InChIKeyDTCIPVHFTCMLPO-UHFFFAOYSA-N
MW437.53 g/mol
LogP3.89
Rot. Bonds8

About 4-[2-(3-methoxyphenyl)ethylamino]-5-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide

4-[2-(3-methoxyphenyl)ethylamino]-5-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 42541545) has the molecular formula C22H23N5O3S and a molecular weight of 437.53 g/mol. Its IUPAC name is 4-[2-(3-methoxyphenyl)ethylamino]-5-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name4-[2-(3-methoxyphenyl)ethylamino]-5-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID42541545
Molecular FormulaC22H23N5O3S
Molecular Weight437.53 g/mol
Exact Mass437.15
IUPAC Name4-[2-(3-methoxyphenyl)ethylamino]-5-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOc1cccc(CCNc2ncnc3sc(C(=O)NCc4cc(C)no4)c(C)c23)c1
InChIInChI=1S/C22H23N5O3S/c1-13-9-17(30-27-13)11-24-21(28)19-14(2)18-20(25-12-26-22(18)31-19)23-8-7-15-5-4-6-16(10-15)29-3/h4-6,9-10,12H,7-8,11H2,1-3H3,(H,24,28)(H,23,25,26)
InChIKeyDTCIPVHFTCMLPO-UHFFFAOYSA-N
XLogP3.89
TPSA102.17 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.53
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2-hydroxyethyl)-4-[2-(3-methoxyphenyl)ethylamino]-5-methyl-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide
CID 25293666
4-[2-(3-methoxyphenyl)ethylamino]-N,5-dimethyl-N-(2-pyridin-2-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 26348147
[4-(2-methoxyethyl)piperazin-1-yl]-[4-[2-(3-methoxyphenyl)ethylamino]-5-methylthieno[2,3-d]pyrimidin-6-yl]methanone
CID 29219263
4-[(3-methoxyphenyl)methylamino]-5-methyl-N-[(3R)-oxolan-3-yl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 42398144
4-[(3-methoxyphenyl)methylamino]-N,5-dimethyl-N-(1,2-oxazol-3-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 26318634
N-(2-hydroxybutyl)-5-methyl-4-(2-phenylethylamino)thieno[2,3-d]pyrimidine-6-carboxamide
CID 45218523
4-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(1,4-dioxan-2-ylmethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 45222427
N-[2-(3-chlorophenyl)ethyl]-5-methyl-4-[[(2R)-oxolan-2-yl]methylamino]thieno[2,3-d]pyrimidine-6-carboxamide
CID 26345206
N-[2-(3-chlorophenyl)ethyl]-5-methyl-4-[[(2S)-oxolan-2-yl]methylamino]thieno[2,3-d]pyrimidine-6-carboxamide
CID 26345201
N-[(2R)-1-methoxypropan-2-yl]-5-methyl-4-(2-phenylethylamino)thieno[2,3-d]pyrimidine-6-carboxamide
CID 42430333
ethyl 5-methyl-4-(2-phenylethylamino)thieno[2,3-d]pyrimidine-6-carboxylate
CID 733147
N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-4-(3-methoxypropylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 26352818

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-methoxyphenyl)ethylamino]-5-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 4-[2-(3-methoxyphenyl)ethylamino]-5-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide (CID 42541545) is 4-[2-(3-methoxyphenyl)ethylamino]-5-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 4-[2-(3-methoxyphenyl)ethylamino]-5-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 4-[2-(3-methoxyphenyl)ethylamino]-5-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide is COc1cccc(CCNc2ncnc3sc(C(=O)NCc4cc(C)no4)c(C)c23)c1.
What is the InChIKey of 4-[2-(3-methoxyphenyl)ethylamino]-5-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is DTCIPVHFTCMLPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O3S/c1-13-9-17(30-27-13)11-24-21(28)19-14(2)18-20(25-12-26-22(18)31-19)23-8-7-15-5-4-6-16(10-15)29-3/h4-6,9-10,12H,7-8,11H2,1-3H3,(H,24,28)(H,23,25,26).
What are the key properties of 4-[2-(3-methoxyphenyl)ethylamino]-5-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide?
4-[2-(3-methoxyphenyl)ethylamino]-5-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 437.53 g/mol, XLogP of 3.89, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-methoxyphenyl)ethylamino]-5-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 42541545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).