N-[(2-chloro-6-fluorophenyl)methyl]-2-cyclopropyl-N,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide

C20H19ClFN3OS — CID 32896241

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-2-cyclopropyl-N,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1nc(C2CC2)nc2sc(C(=O)N(C)Cc3c(F)cccc3Cl)c(C)c12
InChIInChI=1S/C20H19ClFN3OS/c1-10-16-11(2)23-18(12-7-8-12)24-19(16)27-17(10)20(26)25(3)9-13-14(21)5-4-6-15(13)22/h4-6,12H,7-9H2,1-3H3
InChIKeyQWDGJGMEGNTLHT-UHFFFAOYSA-N
MW403.91 g/mol
LogP5.25
Rot. Bonds4

About N-[(2-chloro-6-fluorophenyl)methyl]-2-cyclopropyl-N,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide

N-[(2-chloro-6-fluorophenyl)methyl]-2-cyclopropyl-N,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 32896241) has the molecular formula C20H19ClFN3OS and a molecular weight of 403.91 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-2-cyclopropyl-N,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-2-cyclopropyl-N,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID32896241
Molecular FormulaC20H19ClFN3OS
Molecular Weight403.91 g/mol
Exact Mass403.09
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-2-cyclopropyl-N,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1nc(C2CC2)nc2sc(C(=O)N(C)Cc3c(F)cccc3Cl)c(C)c12
InChIInChI=1S/C20H19ClFN3OS/c1-10-16-11(2)23-18(12-7-8-12)24-19(16)27-17(10)20(26)25(3)9-13-14(21)5-4-6-15(13)22/h4-6,12H,7-9H2,1-3H3
InChIKeyQWDGJGMEGNTLHT-UHFFFAOYSA-N
XLogP5.25
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.91
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[(2-chloro-6-fluorophenyl)methyl]-2-cyclopropyl-N,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide with MolForge

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Related Compounds

N-benzyl-2-cyclopropyl-N,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 24662376
N-[(2-chloro-6-fluorophenyl)methyl]-N,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 9467914
N-[2-(3-chlorophenyl)ethyl]-2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 30706606
2-cyclopropyl-4,5-dimethyl-N-(2-phenylethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 46635047
2-cyclopropyl-4,5-dimethyl-N-[(3-methylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 33283292
2-ethyl-N-[(2-fluorophenyl)methyl]-N,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 38046916
N-[(2-chloro-6-fluorophenyl)methyl]-6-fluoro-N-methylpyridine-2-carboxamide
CID 115496956
N-(3-chloro-4-methylphenyl)-2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 46539056
2-cyclopropyl-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 55692702
2-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 30766638
N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
CID 60628558
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-[(2-chloro-6-fluorophenyl)methyl]-2-cyclopropyl-N,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-2-cyclopropyl-N,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide (CID 32896241) is N-[(2-chloro-6-fluorophenyl)methyl]-2-cyclopropyl-N,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-2-cyclopropyl-N,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-2-cyclopropyl-N,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide is Cc1nc(C2CC2)nc2sc(C(=O)N(C)Cc3c(F)cccc3Cl)c(C)c12.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-2-cyclopropyl-N,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is QWDGJGMEGNTLHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClFN3OS/c1-10-16-11(2)23-18(12-7-8-12)24-19(16)27-17(10)20(26)25(3)9-13-14(21)5-4-6-15(13)22/h4-6,12H,7-9H2,1-3H3.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-2-cyclopropyl-N,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide?
N-[(2-chloro-6-fluorophenyl)methyl]-2-cyclopropyl-N,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 403.91 g/mol, XLogP of 5.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-2-cyclopropyl-N,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 32896241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).