N-[6-(dimethylamino)-3-pyridinyl]-2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide

C18H21N5OS — CID 18157752

IUPACN-[6-(dimethylamino)-3-pyridinyl]-2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCc1nc(C)c2c(C)c(C(=O)Nc3ccc(N(C)C)nc3)sc2n1
InChIInChI=1S/C18H21N5OS/c1-6-13-20-11(3)15-10(2)16(25-18(15)22-13)17(24)21-12-7-8-14(19-9-12)23(4)5/h7-9H,6H2,1-5H3,(H,21,24)
InChIKeyAVTPIYIXBRNIRD-UHFFFAOYSA-N
MW355.47 g/mol
LogP3.58
Rot. Bonds4

About N-[6-(dimethylamino)-3-pyridinyl]-2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide

N-[6-(dimethylamino)-3-pyridinyl]-2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 18157752) has the molecular formula C18H21N5OS and a molecular weight of 355.47 g/mol. Its IUPAC name is N-[6-(dimethylamino)-3-pyridinyl]-2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[6-(dimethylamino)-3-pyridinyl]-2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID18157752
Molecular FormulaC18H21N5OS
Molecular Weight355.47 g/mol
Exact Mass355.15
IUPAC NameN-[6-(dimethylamino)-3-pyridinyl]-2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCc1nc(C)c2c(C)c(C(=O)Nc3ccc(N(C)C)nc3)sc2n1
InChIInChI=1S/C18H21N5OS/c1-6-13-20-11(3)15-10(2)16(25-18(15)22-13)17(24)21-12-7-8-14(19-9-12)23(4)5/h7-9H,6H2,1-5H3,(H,21,24)
InChIKeyAVTPIYIXBRNIRD-UHFFFAOYSA-N
XLogP3.58
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.47
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,4-difluorophenyl)-2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 33475880
2-ethyl-4,5-dimethyl-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylthieno[2,3-d]pyrimidine-6-carboxamide
CID 43044266
N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 46399876
2-ethyl-4,5-dimethyl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 25331738
N-(5-tert-butyl-2-hydroxyphenyl)-2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 18228324
ethyl N-[(2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl)amino]carbamate
CID 43044207
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 33041084
2-ethyl-4,5-dimethyl-N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 51116235
2-ethyl-N-[(2R)-1-methoxypropan-2-yl]-N,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 94173419
N-(1,3-benzodioxol-5-ylmethyl)-2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 33394339
5-[[(2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl)amino]methyl]furan-2-carboxylic acid
CID 75429505
2-cyclopropyl-N-(6-methoxy-3-pyridinyl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 46539036

Frequently Asked Questions

What is the IUPAC name of N-[6-(dimethylamino)-3-pyridinyl]-2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-[6-(dimethylamino)-3-pyridinyl]-2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide (CID 18157752) is N-[6-(dimethylamino)-3-pyridinyl]-2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[6-(dimethylamino)-3-pyridinyl]-2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-[6-(dimethylamino)-3-pyridinyl]-2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide is CCc1nc(C)c2c(C)c(C(=O)Nc3ccc(N(C)C)nc3)sc2n1.
What is the InChIKey of N-[6-(dimethylamino)-3-pyridinyl]-2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is AVTPIYIXBRNIRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5OS/c1-6-13-20-11(3)15-10(2)16(25-18(15)22-13)17(24)21-12-7-8-14(19-9-12)23(4)5/h7-9H,6H2,1-5H3,(H,21,24).
What are the key properties of N-[6-(dimethylamino)-3-pyridinyl]-2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide?
N-[6-(dimethylamino)-3-pyridinyl]-2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 355.47 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(dimethylamino)-3-pyridinyl]-2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 18157752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).