N-benzyl-2-cyclopropyl-N,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide

C20H21N3OS — CID 24662376

IUPACN-benzyl-2-cyclopropyl-N,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1nc(C2CC2)nc2sc(C(=O)N(C)Cc3ccccc3)c(C)c12
InChIInChI=1S/C20H21N3OS/c1-12-16-13(2)21-18(15-9-10-15)22-19(16)25-17(12)20(24)23(3)11-14-7-5-4-6-8-14/h4-8,15H,9-11H2,1-3H3
InChIKeyXRVSIXCTDHCQNK-UHFFFAOYSA-N
MW351.48 g/mol
LogP4.46
Rot. Bonds4

About N-benzyl-2-cyclopropyl-N,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide

N-benzyl-2-cyclopropyl-N,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 24662376) has the molecular formula C20H21N3OS and a molecular weight of 351.48 g/mol. Its IUPAC name is N-benzyl-2-cyclopropyl-N,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-cyclopropyl-N,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID24662376
Molecular FormulaC20H21N3OS
Molecular Weight351.48 g/mol
Exact Mass351.14
IUPAC NameN-benzyl-2-cyclopropyl-N,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1nc(C2CC2)nc2sc(C(=O)N(C)Cc3ccccc3)c(C)c12
InChIInChI=1S/C20H21N3OS/c1-12-16-13(2)21-18(15-9-10-15)22-19(16)25-17(12)20(24)23(3)11-14-7-5-4-6-8-14/h4-8,15H,9-11H2,1-3H3
InChIKeyXRVSIXCTDHCQNK-UHFFFAOYSA-N
XLogP4.46
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.48
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-4,5-dimethyl-N-(2-phenylethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 46635047
N-[(2-chloro-6-fluorophenyl)methyl]-2-cyclopropyl-N,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 32896241
N,2-dicyclopropyl-N-[(4-methoxyphenyl)methyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 33335434
N-benzyl-N,2,3,5-tetramethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 23766608
2-cyclopropyl-4,5-dimethyl-N-[(3-methylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 33283292
N-[2-(3-chlorophenyl)ethyl]-2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 30706606
2-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 30766638
2-cyclopropyl-4,5-dimethyl-N-[(2-phenylmethoxy-4-pyridinyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 46475896
2-cyclopropyl-4,5-dimethyl-N-[3-(1-phenylethoxy)propyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 46550056
N-[1-(2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl)piperidin-4-yl]-3-phenylpropanamide
CID 46455672
2-cyclopropyl-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 55692702
N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 30706996

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-cyclopropyl-N,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-benzyl-2-cyclopropyl-N,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide (CID 24662376) is N-benzyl-2-cyclopropyl-N,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-benzyl-2-cyclopropyl-N,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-benzyl-2-cyclopropyl-N,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide is Cc1nc(C2CC2)nc2sc(C(=O)N(C)Cc3ccccc3)c(C)c12.
What is the InChIKey of N-benzyl-2-cyclopropyl-N,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is XRVSIXCTDHCQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3OS/c1-12-16-13(2)21-18(15-9-10-15)22-19(16)25-17(12)20(24)23(3)11-14-7-5-4-6-8-14/h4-8,15H,9-11H2,1-3H3.
What are the key properties of N-benzyl-2-cyclopropyl-N,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide?
N-benzyl-2-cyclopropyl-N,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 351.48 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-cyclopropyl-N,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 24662376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).