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

C20H23N5OS — CID 55692702

IUPAC2-cyclopropyl-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1nc(C2CC2)nc2sc(C(=O)NCc3cccnc3N(C)C)c(C)c12
InChIInChI=1S/C20H23N5OS/c1-11-15-12(2)23-17(13-7-8-13)24-20(15)27-16(11)19(26)22-10-14-6-5-9-21-18(14)25(3)4/h5-6,9,13H,7-8,10H2,1-4H3,(H,22,26)
InChIKeyIFAYXKYXIZWWGU-UHFFFAOYSA-N
MW381.51 g/mol
LogP3.58
Rot. Bonds5

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

2-cyclopropyl-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 55692702) has the molecular formula C20H23N5OS and a molecular weight of 381.51 g/mol. Its IUPAC name is 2-cyclopropyl-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID55692702
Molecular FormulaC20H23N5OS
Molecular Weight381.51 g/mol
Exact Mass381.16
IUPAC Name2-cyclopropyl-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1nc(C2CC2)nc2sc(C(=O)NCc3cccnc3N(C)C)c(C)c12
InChIInChI=1S/C20H23N5OS/c1-11-15-12(2)23-17(13-7-8-13)24-20(15)27-16(11)19(26)22-10-14-6-5-9-21-18(14)25(3)4/h5-6,9,13H,7-8,10H2,1-4H3,(H,22,26)
InChIKeyIFAYXKYXIZWWGU-UHFFFAOYSA-N
XLogP3.58
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.51
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-cyclopropyl-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide with MolForge

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Related Compounds

2-cyclopropyl-4,5-dimethyl-N-[(3-methylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 33283292
2-cyclopropyl-4,5-dimethyl-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 55901633
2-cyclopropyl-4,5-dimethyl-N-(2-phenylethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 46635047
2-cyclopropyl-4,5-dimethyl-N-[(2-phenylmethoxy-4-pyridinyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 46475896
N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 24683186
N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 30706996
N-benzyl-2-cyclopropyl-N,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 24662376
N-[2-(3-chlorophenyl)ethyl]-2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 30706606
2-cyclopropyl-N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 55819206
2-cyclopropyl-4,5-dimethyl-N-[3-(1-phenylethoxy)propyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 46550056
N-butan-2-yl-2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 46539061
N-[[2-(methoxymethyl)phenyl]methyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 32606435

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 2-cyclopropyl-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide (CID 55692702) is 2-cyclopropyl-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide is Cc1nc(C2CC2)nc2sc(C(=O)NCc3cccnc3N(C)C)c(C)c12.
What is the InChIKey of 2-cyclopropyl-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is IFAYXKYXIZWWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5OS/c1-11-15-12(2)23-17(13-7-8-13)24-20(15)27-16(11)19(26)22-10-14-6-5-9-21-18(14)25(3)4/h5-6,9,13H,7-8,10H2,1-4H3,(H,22,26).
What are the key properties of 2-cyclopropyl-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide?
2-cyclopropyl-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 381.51 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 55692702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).