4-[2-(3,4-dimethoxyphenyl)ethylamino]-N,5-dimethyl-N-(2-methylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide

C23H30N4O3S — CID 42248244

IUPAC4-[2-(3,4-dimethoxyphenyl)ethylamino]-N,5-dimethyl-N-(2-methylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOc1ccc(CCNc2ncnc3sc(C(=O)N(C)CC(C)C)c(C)c23)cc1OC
InChIInChI=1S/C23H30N4O3S/c1-14(2)12-27(4)23(28)20-15(3)19-21(25-13-26-22(19)31-20)24-10-9-16-7-8-17(29-5)18(11-16)30-6/h7-8,11,13-14H,9-10,12H2,1-6H3,(H,24,25,26)
InChIKeyMIWIPJDVBKNFBP-UHFFFAOYSA-N
MW442.59 g/mol
LogP4.40
Rot. Bonds9

About 4-[2-(3,4-dimethoxyphenyl)ethylamino]-N,5-dimethyl-N-(2-methylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide

4-[2-(3,4-dimethoxyphenyl)ethylamino]-N,5-dimethyl-N-(2-methylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 42248244) has the molecular formula C23H30N4O3S and a molecular weight of 442.59 g/mol. Its IUPAC name is 4-[2-(3,4-dimethoxyphenyl)ethylamino]-N,5-dimethyl-N-(2-methylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name4-[2-(3,4-dimethoxyphenyl)ethylamino]-N,5-dimethyl-N-(2-methylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID42248244
Molecular FormulaC23H30N4O3S
Molecular Weight442.59 g/mol
Exact Mass442.20
IUPAC Name4-[2-(3,4-dimethoxyphenyl)ethylamino]-N,5-dimethyl-N-(2-methylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOc1ccc(CCNc2ncnc3sc(C(=O)N(C)CC(C)C)c(C)c23)cc1OC
InChIInChI=1S/C23H30N4O3S/c1-14(2)12-27(4)23(28)20-15(3)19-21(25-13-26-22(19)31-20)24-10-9-16-7-8-17(29-5)18(11-16)30-6/h7-8,11,13-14H,9-10,12H2,1-6H3,(H,24,25,26)
InChIKeyMIWIPJDVBKNFBP-UHFFFAOYSA-N
XLogP4.40
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.59
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(1,4-dioxan-2-ylmethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 45222427
methyl 1-[4-[2-(3,4-dimethoxyphenyl)ethylamino]-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]piperidine-2-carboxylate
CID 45237219
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
propan-2-yl 4-[2-(4-hydroxyphenyl)ethylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 28849980
N,5-dimethyl-N-(2-methylpropyl)-4-(oxolan-2-ylmethylamino)thieno[2,3-d]pyrimidine-6-carboxamide
CID 45217474
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 2229408
N-butyl-4-[(2-methoxyphenyl)methylamino]-N,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 42472593
4-(ethylamino)-5-methyl-N-(3-methylbutyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 25294318
4-[2-(cyclohexen-1-yl)ethylamino]-N,5-dimethyl-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide
CID 26359352
4-(ethylamino)-N-(2-methoxyethyl)-N,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 42319443
N-(1-hydroxypropan-2-yl)-4-[2-(2-methoxyphenyl)ethylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 45221724

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,4-dimethoxyphenyl)ethylamino]-N,5-dimethyl-N-(2-methylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 4-[2-(3,4-dimethoxyphenyl)ethylamino]-N,5-dimethyl-N-(2-methylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide (CID 42248244) is 4-[2-(3,4-dimethoxyphenyl)ethylamino]-N,5-dimethyl-N-(2-methylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 4-[2-(3,4-dimethoxyphenyl)ethylamino]-N,5-dimethyl-N-(2-methylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 4-[2-(3,4-dimethoxyphenyl)ethylamino]-N,5-dimethyl-N-(2-methylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide is COc1ccc(CCNc2ncnc3sc(C(=O)N(C)CC(C)C)c(C)c23)cc1OC.
What is the InChIKey of 4-[2-(3,4-dimethoxyphenyl)ethylamino]-N,5-dimethyl-N-(2-methylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is MIWIPJDVBKNFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O3S/c1-14(2)12-27(4)23(28)20-15(3)19-21(25-13-26-22(19)31-20)24-10-9-16-7-8-17(29-5)18(11-16)30-6/h7-8,11,13-14H,9-10,12H2,1-6H3,(H,24,25,26).
What are the key properties of 4-[2-(3,4-dimethoxyphenyl)ethylamino]-N,5-dimethyl-N-(2-methylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide?
4-[2-(3,4-dimethoxyphenyl)ethylamino]-N,5-dimethyl-N-(2-methylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 442.59 g/mol, XLogP of 4.40, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,4-dimethoxyphenyl)ethylamino]-N,5-dimethyl-N-(2-methylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 42248244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).