N-[2-(diethylamino)-3-phenylpropyl]-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide

C24H32N4O3S — CID 55635921

IUPACN-[2-(diethylamino)-3-phenylpropyl]-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCN(CC)C(CNC(=O)c1sc2nc(COC)nc(OC)c2c1C)Cc1ccccc1
InChIInChI=1S/C24H32N4O3S/c1-6-28(7-2)18(13-17-11-9-8-10-12-17)14-25-22(29)21-16(3)20-23(31-5)26-19(15-30-4)27-24(20)32-21/h8-12,18H,6-7,13-15H2,1-5H3,(H,25,29)
InChIKeyMGOMJPGVGXGLGM-UHFFFAOYSA-N
MW456.61 g/mol
LogP3.84
Rot. Bonds11

About N-[2-(diethylamino)-3-phenylpropyl]-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide

N-[2-(diethylamino)-3-phenylpropyl]-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 55635921) has the molecular formula C24H32N4O3S and a molecular weight of 456.61 g/mol. Its IUPAC name is N-[2-(diethylamino)-3-phenylpropyl]-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-3-phenylpropyl]-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID55635921
Molecular FormulaC24H32N4O3S
Molecular Weight456.61 g/mol
Exact Mass456.22
IUPAC NameN-[2-(diethylamino)-3-phenylpropyl]-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCN(CC)C(CNC(=O)c1sc2nc(COC)nc(OC)c2c1C)Cc1ccccc1
InChIInChI=1S/C24H32N4O3S/c1-6-28(7-2)18(13-17-11-9-8-10-12-17)14-25-22(29)21-16(3)20-23(31-5)26-19(15-30-4)27-24(20)32-21/h8-12,18H,6-7,13-15H2,1-5H3,(H,25,29)
InChIKeyMGOMJPGVGXGLGM-UHFFFAOYSA-N
XLogP3.84
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.61
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-3-phenylpropyl]-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-[2-(diethylamino)-3-phenylpropyl]-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide (CID 55635921) is N-[2-(diethylamino)-3-phenylpropyl]-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)-3-phenylpropyl]-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-[2-(diethylamino)-3-phenylpropyl]-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide is CCN(CC)C(CNC(=O)c1sc2nc(COC)nc(OC)c2c1C)Cc1ccccc1.
What is the InChIKey of N-[2-(diethylamino)-3-phenylpropyl]-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is MGOMJPGVGXGLGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O3S/c1-6-28(7-2)18(13-17-11-9-8-10-12-17)14-25-22(29)21-16(3)20-23(31-5)26-19(15-30-4)27-24(20)32-21/h8-12,18H,6-7,13-15H2,1-5H3,(H,25,29).
What are the key properties of N-[2-(diethylamino)-3-phenylpropyl]-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide?
N-[2-(diethylamino)-3-phenylpropyl]-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 456.61 g/mol, XLogP of 3.84, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-3-phenylpropyl]-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 55635921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).