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

C20H21N3OS — CID 33283292

IUPAC2-cyclopropyl-4,5-dimethyl-N-[(3-methylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1cccc(CNC(=O)c2sc3nc(C4CC4)nc(C)c3c2C)c1
InChIInChI=1S/C20H21N3OS/c1-11-5-4-6-14(9-11)10-21-19(24)17-12(2)16-13(3)22-18(15-7-8-15)23-20(16)25-17/h4-6,9,15H,7-8,10H2,1-3H3,(H,21,24)
InChIKeyTVIZYORJQHOKSY-UHFFFAOYSA-N
MW351.48 g/mol
LogP4.42
Rot. Bonds4

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

2-cyclopropyl-4,5-dimethyl-N-[(3-methylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 33283292) has the molecular formula C20H21N3OS and a molecular weight of 351.48 g/mol. Its IUPAC name is 2-cyclopropyl-4,5-dimethyl-N-[(3-methylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-4,5-dimethyl-N-[(3-methylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID33283292
Molecular FormulaC20H21N3OS
Molecular Weight351.48 g/mol
Exact Mass351.14
IUPAC Name2-cyclopropyl-4,5-dimethyl-N-[(3-methylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1cccc(CNC(=O)c2sc3nc(C4CC4)nc(C)c3c2C)c1
InChIInChI=1S/C20H21N3OS/c1-11-5-4-6-14(9-11)10-21-19(24)17-12(2)16-13(3)22-18(15-7-8-15)23-20(16)25-17/h4-6,9,15H,7-8,10H2,1-3H3,(H,21,24)
InChIKeyTVIZYORJQHOKSY-UHFFFAOYSA-N
XLogP4.42
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.48
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 30706996
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-[2-(3-chlorophenyl)ethyl]-2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 30706606
N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 24683186
2-cyclopropyl-4,5-dimethyl-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 55901633
2-cyclopropyl-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 55692702
N-benzyl-2-cyclopropyl-N,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 24662376
2-cyclopropyl-N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 55819206
2-cyclopropyl-N-(3-methoxyphenyl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 24671862
2,4,5-trimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 46578103
2-cyclopropyl-4,5-dimethyl-N-[3-(1-phenylethoxy)propyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 46550056

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4,5-dimethyl-N-[(3-methylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 2-cyclopropyl-4,5-dimethyl-N-[(3-methylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide (CID 33283292) is 2-cyclopropyl-4,5-dimethyl-N-[(3-methylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-cyclopropyl-4,5-dimethyl-N-[(3-methylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 2-cyclopropyl-4,5-dimethyl-N-[(3-methylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide is Cc1cccc(CNC(=O)c2sc3nc(C4CC4)nc(C)c3c2C)c1.
What is the InChIKey of 2-cyclopropyl-4,5-dimethyl-N-[(3-methylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is TVIZYORJQHOKSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3OS/c1-11-5-4-6-14(9-11)10-21-19(24)17-12(2)16-13(3)22-18(15-7-8-15)23-20(16)25-17/h4-6,9,15H,7-8,10H2,1-3H3,(H,21,24).
What are the key properties of 2-cyclopropyl-4,5-dimethyl-N-[(3-methylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide?
2-cyclopropyl-4,5-dimethyl-N-[(3-methylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 351.48 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4,5-dimethyl-N-[(3-methylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 33283292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).