4-(diethylamino)-2,5-dimethyl-N-(6-methyl-2-pyridinyl)thieno[2,3-d]pyrimidine-6-carboxamide

C19H23N5OS — CID 23987564

IUPAC4-(diethylamino)-2,5-dimethyl-N-(6-methyl-2-pyridinyl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCN(CC)c1nc(C)nc2sc(C(=O)Nc3cccc(C)n3)c(C)c12
InChIInChI=1S/C19H23N5OS/c1-6-24(7-2)17-15-12(4)16(26-19(15)22-13(5)21-17)18(25)23-14-10-8-9-11(3)20-14/h8-10H,6-7H2,1-5H3,(H,20,23,25)
InChIKeyRPHNPGZILLOUEA-UHFFFAOYSA-N
MW369.49 g/mol
LogP4.11
Rot. Bonds5

About 4-(diethylamino)-2,5-dimethyl-N-(6-methyl-2-pyridinyl)thieno[2,3-d]pyrimidine-6-carboxamide

4-(diethylamino)-2,5-dimethyl-N-(6-methyl-2-pyridinyl)thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 23987564) has the molecular formula C19H23N5OS and a molecular weight of 369.49 g/mol. Its IUPAC name is 4-(diethylamino)-2,5-dimethyl-N-(6-methyl-2-pyridinyl)thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name4-(diethylamino)-2,5-dimethyl-N-(6-methyl-2-pyridinyl)thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID23987564
Molecular FormulaC19H23N5OS
Molecular Weight369.49 g/mol
Exact Mass369.16
IUPAC Name4-(diethylamino)-2,5-dimethyl-N-(6-methyl-2-pyridinyl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCN(CC)c1nc(C)nc2sc(C(=O)Nc3cccc(C)n3)c(C)c12
InChIInChI=1S/C19H23N5OS/c1-6-24(7-2)17-15-12(4)16(26-19(15)22-13(5)21-17)18(25)23-14-10-8-9-11(3)20-14/h8-10H,6-7H2,1-5H3,(H,20,23,25)
InChIKeyRPHNPGZILLOUEA-UHFFFAOYSA-N
XLogP4.11
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(diethylamino)-2,5-dimethyl-N-(6-methyl-2-pyridinyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 4-(diethylamino)-2,5-dimethyl-N-(6-methyl-2-pyridinyl)thieno[2,3-d]pyrimidine-6-carboxamide (CID 23987564) is 4-(diethylamino)-2,5-dimethyl-N-(6-methyl-2-pyridinyl)thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 4-(diethylamino)-2,5-dimethyl-N-(6-methyl-2-pyridinyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 4-(diethylamino)-2,5-dimethyl-N-(6-methyl-2-pyridinyl)thieno[2,3-d]pyrimidine-6-carboxamide is CCN(CC)c1nc(C)nc2sc(C(=O)Nc3cccc(C)n3)c(C)c12.
What is the InChIKey of 4-(diethylamino)-2,5-dimethyl-N-(6-methyl-2-pyridinyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is RPHNPGZILLOUEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5OS/c1-6-24(7-2)17-15-12(4)16(26-19(15)22-13(5)21-17)18(25)23-14-10-8-9-11(3)20-14/h8-10H,6-7H2,1-5H3,(H,20,23,25).
What are the key properties of 4-(diethylamino)-2,5-dimethyl-N-(6-methyl-2-pyridinyl)thieno[2,3-d]pyrimidine-6-carboxamide?
4-(diethylamino)-2,5-dimethyl-N-(6-methyl-2-pyridinyl)thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 369.49 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)-2,5-dimethyl-N-(6-methyl-2-pyridinyl)thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 23987564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).