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

C24H29N5OS — CID 4151113

IUPACN-cyclohexyl-5-methyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)NC2CCCCC2)sc2ncnc(N3CCN(c4ccccc4)CC3)c12
InChIInChI=1S/C24H29N5OS/c1-17-20-22(29-14-12-28(13-15-29)19-10-6-3-7-11-19)25-16-26-24(20)31-21(17)23(30)27-18-8-4-2-5-9-18/h3,6-7,10-11,16,18H,2,4-5,8-9,12-15H2,1H3,(H,27,30)
InChIKeyBDTMSXJZANEZSC-UHFFFAOYSA-N
MW435.60 g/mol
LogP4.39
Rot. Bonds4

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

N-cyclohexyl-5-methyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 4151113) has the molecular formula C24H29N5OS and a molecular weight of 435.60 g/mol. Its IUPAC name is N-cyclohexyl-5-methyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-5-methyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID4151113
Molecular FormulaC24H29N5OS
Molecular Weight435.60 g/mol
Exact Mass435.21
IUPAC NameN-cyclohexyl-5-methyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)NC2CCCCC2)sc2ncnc(N3CCN(c4ccccc4)CC3)c12
InChIInChI=1S/C24H29N5OS/c1-17-20-22(29-14-12-28(13-15-29)19-10-6-3-7-11-19)25-16-26-24(20)31-21(17)23(30)27-18-8-4-2-5-9-18/h3,6-7,10-11,16,18H,2,4-5,8-9,12-15H2,1H3,(H,27,30)
InChIKeyBDTMSXJZANEZSC-UHFFFAOYSA-N
XLogP4.39
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.60
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-methyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-cyclohexyl-5-methyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide (CID 4151113) is N-cyclohexyl-5-methyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-cyclohexyl-5-methyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-cyclohexyl-5-methyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide is Cc1c(C(=O)NC2CCCCC2)sc2ncnc(N3CCN(c4ccccc4)CC3)c12.
What is the InChIKey of N-cyclohexyl-5-methyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is BDTMSXJZANEZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5OS/c1-17-20-22(29-14-12-28(13-15-29)19-10-6-3-7-11-19)25-16-26-24(20)31-21(17)23(30)27-18-8-4-2-5-9-18/h3,6-7,10-11,16,18H,2,4-5,8-9,12-15H2,1H3,(H,27,30).
What are the key properties of N-cyclohexyl-5-methyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide?
N-cyclohexyl-5-methyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 435.60 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-methyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 4151113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).