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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Related Compounds

3-(4-{4-Amino-6-methylthieno[2,3-d]pyrimidin-5-yl}phenyl)-1-phenylurea
CID 6539971
Thienopyrimidine deriv. 70
CID 6539978
Thienopyrimidine deriv. 72
CID 6539979
3-(4-{4-Amino-6-methylthieno[2,3-d]pyrimidin-5-yl}phenyl)-1-benzylurea
CID 6539981
Thienopyrimidine deriv. 75
CID 6539984
Urea, N-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)phenyl]-N'-butyl-
CID 6539986
Thienopyrimidine deriv. 12
CID 6539989
Thienopyrimidine deriv. 51
CID 6540006
Thienopyrimidine deriv. 52
CID 6540007
Thienopyrimidine deriv. 60
CID 6540010
Thienopyrimidine deriv. 61
CID 6540011
Thienopyrimidine deriv. 87
CID 6540020

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).