N-(2,6-difluorophenyl)-5-methyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide

C24H21F2N5OS — CID 4154031

IUPACN-(2,6-difluorophenyl)-5-methyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)Nc2c(F)cccc2F)sc2ncnc(N3CCN(c4ccccc4)CC3)c12
InChIInChI=1S/C24H21F2N5OS/c1-15-19-22(31-12-10-30(11-13-31)16-6-3-2-4-7-16)27-14-28-24(19)33-21(15)23(32)29-20-17(25)8-5-9-18(20)26/h2-9,14H,10-13H2,1H3,(H,29,32)
InChIKeySBKXPQYFDKENPE-UHFFFAOYSA-N
MW465.53 g/mol
LogP4.86
Rot. Bonds4

About N-(2,6-difluorophenyl)-5-methyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide

N-(2,6-difluorophenyl)-5-methyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 4154031) has the molecular formula C24H21F2N5OS and a molecular weight of 465.53 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-5-methyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-5-methyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID4154031
Molecular FormulaC24H21F2N5OS
Molecular Weight465.53 g/mol
Exact Mass465.14
IUPAC NameN-(2,6-difluorophenyl)-5-methyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)Nc2c(F)cccc2F)sc2ncnc(N3CCN(c4ccccc4)CC3)c12
InChIInChI=1S/C24H21F2N5OS/c1-15-19-22(31-12-10-30(11-13-31)16-6-3-2-4-7-16)27-14-28-24(19)33-21(15)23(32)29-20-17(25)8-5-9-18(20)26/h2-9,14H,10-13H2,1H3,(H,29,32)
InChIKeySBKXPQYFDKENPE-UHFFFAOYSA-N
XLogP4.86
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.53
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-5-methyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-(2,6-difluorophenyl)-5-methyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide (CID 4154031) is N-(2,6-difluorophenyl)-5-methyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-5-methyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-(2,6-difluorophenyl)-5-methyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide is Cc1c(C(=O)Nc2c(F)cccc2F)sc2ncnc(N3CCN(c4ccccc4)CC3)c12.
What is the InChIKey of N-(2,6-difluorophenyl)-5-methyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is SBKXPQYFDKENPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2N5OS/c1-15-19-22(31-12-10-30(11-13-31)16-6-3-2-4-7-16)27-14-28-24(19)33-21(15)23(32)29-20-17(25)8-5-9-18(20)26/h2-9,14H,10-13H2,1H3,(H,29,32).
What are the key properties of N-(2,6-difluorophenyl)-5-methyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide?
N-(2,6-difluorophenyl)-5-methyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 465.53 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-5-methyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 4154031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).