N-cyclohexyl-4-[4-(2-fluorophenyl)piperazin-1-yl]-N,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide

C25H30FN5OS — CID 3386179

IUPACN-cyclohexyl-4-[4-(2-fluorophenyl)piperazin-1-yl]-N,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)N(C)C2CCCCC2)sc2ncnc(N3CCN(c4ccccc4F)CC3)c12
InChIInChI=1S/C25H30FN5OS/c1-17-21-23(31-14-12-30(13-15-31)20-11-7-6-10-19(20)26)27-16-28-24(21)33-22(17)25(32)29(2)18-8-4-3-5-9-18/h6-7,10-11,16,18H,3-5,8-9,12-15H2,1-2H3
InChIKeyVCCXKSFAZRABDO-UHFFFAOYSA-N
MW467.61 g/mol
LogP4.87
Rot. Bonds4

About N-cyclohexyl-4-[4-(2-fluorophenyl)piperazin-1-yl]-N,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide

N-cyclohexyl-4-[4-(2-fluorophenyl)piperazin-1-yl]-N,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 3386179) has the molecular formula C25H30FN5OS and a molecular weight of 467.61 g/mol. Its IUPAC name is N-cyclohexyl-4-[4-(2-fluorophenyl)piperazin-1-yl]-N,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[4-(2-fluorophenyl)piperazin-1-yl]-N,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID3386179
Molecular FormulaC25H30FN5OS
Molecular Weight467.61 g/mol
Exact Mass467.22
IUPAC NameN-cyclohexyl-4-[4-(2-fluorophenyl)piperazin-1-yl]-N,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)N(C)C2CCCCC2)sc2ncnc(N3CCN(c4ccccc4F)CC3)c12
InChIInChI=1S/C25H30FN5OS/c1-17-21-23(31-14-12-30(13-15-31)20-11-7-6-10-19(20)26)27-16-28-24(21)33-22(17)25(32)29(2)18-8-4-3-5-9-18/h6-7,10-11,16,18H,3-5,8-9,12-15H2,1-2H3
InChIKeyVCCXKSFAZRABDO-UHFFFAOYSA-N
XLogP4.87
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.61
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[4-(2-fluorophenyl)piperazin-1-yl]-N,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-cyclohexyl-4-[4-(2-fluorophenyl)piperazin-1-yl]-N,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide (CID 3386179) is N-cyclohexyl-4-[4-(2-fluorophenyl)piperazin-1-yl]-N,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-[4-(2-fluorophenyl)piperazin-1-yl]-N,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-cyclohexyl-4-[4-(2-fluorophenyl)piperazin-1-yl]-N,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide is Cc1c(C(=O)N(C)C2CCCCC2)sc2ncnc(N3CCN(c4ccccc4F)CC3)c12.
What is the InChIKey of N-cyclohexyl-4-[4-(2-fluorophenyl)piperazin-1-yl]-N,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is VCCXKSFAZRABDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN5OS/c1-17-21-23(31-14-12-30(13-15-31)20-11-7-6-10-19(20)26)27-16-28-24(21)33-22(17)25(32)29(2)18-8-4-3-5-9-18/h6-7,10-11,16,18H,3-5,8-9,12-15H2,1-2H3.
What are the key properties of N-cyclohexyl-4-[4-(2-fluorophenyl)piperazin-1-yl]-N,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide?
N-cyclohexyl-4-[4-(2-fluorophenyl)piperazin-1-yl]-N,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 467.61 g/mol, XLogP of 4.87, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[4-(2-fluorophenyl)piperazin-1-yl]-N,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 3386179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).