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

C19H20FN3OS — CID 38046916

IUPAC2-ethyl-N-[(2-fluorophenyl)methyl]-N,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCc1nc(C)c2c(C)c(C(=O)N(C)Cc3ccccc3F)sc2n1
InChIInChI=1S/C19H20FN3OS/c1-5-15-21-12(3)16-11(2)17(25-18(16)22-15)19(24)23(4)10-13-8-6-7-9-14(13)20/h6-9H,5,10H2,1-4H3
InChIKeyZVSJAJJBMCGJRR-UHFFFAOYSA-N
MW357.45 g/mol
LogP4.28
Rot. Bonds4

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

2-ethyl-N-[(2-fluorophenyl)methyl]-N,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 38046916) has the molecular formula C19H20FN3OS and a molecular weight of 357.45 g/mol. Its IUPAC name is 2-ethyl-N-[(2-fluorophenyl)methyl]-N,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-[(2-fluorophenyl)methyl]-N,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID38046916
Molecular FormulaC19H20FN3OS
Molecular Weight357.45 g/mol
Exact Mass357.13
IUPAC Name2-ethyl-N-[(2-fluorophenyl)methyl]-N,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCc1nc(C)c2c(C)c(C(=O)N(C)Cc3ccccc3F)sc2n1
InChIInChI=1S/C19H20FN3OS/c1-5-15-21-12(3)16-11(2)17(25-18(16)22-15)19(24)23(4)10-13-8-6-7-9-14(13)20/h6-9H,5,10H2,1-4H3
InChIKeyZVSJAJJBMCGJRR-UHFFFAOYSA-N
XLogP4.28
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Thieno[2,3-d]pyrimidine, 21c
CID 11290334
Pmid20346665C24
CID 46866191
Pmid20346665C27
CID 46866192
13-(Dimethylamino)-5-(4-methylphenyl)-8-thia-3,5,10,12-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one
CID 57559287
2,5-dimethyl-4-(4-methylpiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 4137406
Thieno[2,3-d]pyrimidine, 21a
CID 11415286
(5-Amino-4-methyl-2-phenylthieno[2,3-d]pyrimidin-6-yl)(4-fluorophenyl)methanone
CID 2810737
2,5-dimethyl-4-piperidin-1-yl-N-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 4557525
3-(Methylamino)-11-(4-methylphenyl)-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,12-pentaen-10-one
CID 16117434
3-(Dimethylamino)-11-(4-methylphenyl)-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,12-pentaen-10-one
CID 16118818
3-(Ethylamino)-11-(4-methylphenyl)-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,12-pentaen-10-one
CID 16118942
9-Amino-7-cyclopropyl-3-p-tolyl-3H-thieno[2,3-d:4,5-d'']dipyrimidin-4-one
CID 46886120

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[(2-fluorophenyl)methyl]-N,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 2-ethyl-N-[(2-fluorophenyl)methyl]-N,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide (CID 38046916) is 2-ethyl-N-[(2-fluorophenyl)methyl]-N,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-ethyl-N-[(2-fluorophenyl)methyl]-N,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 2-ethyl-N-[(2-fluorophenyl)methyl]-N,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide is CCc1nc(C)c2c(C)c(C(=O)N(C)Cc3ccccc3F)sc2n1.
What is the InChIKey of 2-ethyl-N-[(2-fluorophenyl)methyl]-N,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is ZVSJAJJBMCGJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3OS/c1-5-15-21-12(3)16-11(2)17(25-18(16)22-15)19(24)23(4)10-13-8-6-7-9-14(13)20/h6-9H,5,10H2,1-4H3.
What are the key properties of 2-ethyl-N-[(2-fluorophenyl)methyl]-N,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide?
2-ethyl-N-[(2-fluorophenyl)methyl]-N,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 357.45 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[(2-fluorophenyl)methyl]-N,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 38046916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).