N-(2-methoxyethyl)-4-[2-(4-methoxyphenyl)ethylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide

C20H24N4O3S — CID 26359135

IUPACN-(2-methoxyethyl)-4-[2-(4-methoxyphenyl)ethylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOCCNC(=O)c1sc2ncnc(NCCc3ccc(OC)cc3)c2c1C
InChIInChI=1S/C20H24N4O3S/c1-13-16-18(21-9-8-14-4-6-15(27-3)7-5-14)23-12-24-20(16)28-17(13)19(25)22-10-11-26-2/h4-7,12H,8-11H2,1-3H3,(H,22,25)(H,21,23,24)
InChIKeyFJOHFWPWJXVCBK-UHFFFAOYSA-N
MW400.50 g/mol
LogP3.04
Rot. Bonds9

About N-(2-methoxyethyl)-4-[2-(4-methoxyphenyl)ethylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide

N-(2-methoxyethyl)-4-[2-(4-methoxyphenyl)ethylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 26359135) has the molecular formula C20H24N4O3S and a molecular weight of 400.50 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-[2-(4-methoxyphenyl)ethylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-[2-(4-methoxyphenyl)ethylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID26359135
Molecular FormulaC20H24N4O3S
Molecular Weight400.50 g/mol
Exact Mass400.16
IUPAC NameN-(2-methoxyethyl)-4-[2-(4-methoxyphenyl)ethylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOCCNC(=O)c1sc2ncnc(NCCc3ccc(OC)cc3)c2c1C
InChIInChI=1S/C20H24N4O3S/c1-13-16-18(21-9-8-14-4-6-15(27-3)7-5-14)23-12-24-20(16)28-17(13)19(25)22-10-11-26-2/h4-7,12H,8-11H2,1-3H3,(H,22,25)(H,21,23,24)
InChIKeyFJOHFWPWJXVCBK-UHFFFAOYSA-N
XLogP3.04
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-[2-(4-methoxyphenyl)ethylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-4-[2-(4-methoxyphenyl)ethylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide (CID 26359135) is N-(2-methoxyethyl)-4-[2-(4-methoxyphenyl)ethylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-4-[2-(4-methoxyphenyl)ethylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-4-[2-(4-methoxyphenyl)ethylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide is COCCNC(=O)c1sc2ncnc(NCCc3ccc(OC)cc3)c2c1C.
What is the InChIKey of N-(2-methoxyethyl)-4-[2-(4-methoxyphenyl)ethylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is FJOHFWPWJXVCBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3S/c1-13-16-18(21-9-8-14-4-6-15(27-3)7-5-14)23-12-24-20(16)28-17(13)19(25)22-10-11-26-2/h4-7,12H,8-11H2,1-3H3,(H,22,25)(H,21,23,24).
What are the key properties of N-(2-methoxyethyl)-4-[2-(4-methoxyphenyl)ethylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide?
N-(2-methoxyethyl)-4-[2-(4-methoxyphenyl)ethylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 400.50 g/mol, XLogP of 3.04, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-[2-(4-methoxyphenyl)ethylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 26359135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).