N-(furan-2-ylmethyl)-5-methyl-4-(4-propylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide

C20H25N5O2S — CID 53085411

IUPACN-(furan-2-ylmethyl)-5-methyl-4-(4-propylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCCN1CCN(c2ncnc3sc(C(=O)NCc4ccco4)c(C)c23)CC1
InChIInChI=1S/C20H25N5O2S/c1-3-6-24-7-9-25(10-8-24)18-16-14(2)17(28-20(16)23-13-22-18)19(26)21-12-15-5-4-11-27-15/h4-5,11,13H,3,6-10,12H2,1-2H3,(H,21,26)
InChIKeyVKKYLVPVTBMVLY-UHFFFAOYSA-N
MW399.52 g/mol
LogP3.05
Rot. Bonds6

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

N-(furan-2-ylmethyl)-5-methyl-4-(4-propylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 53085411) has the molecular formula C20H25N5O2S and a molecular weight of 399.52 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-5-methyl-4-(4-propylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-5-methyl-4-(4-propylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID53085411
Molecular FormulaC20H25N5O2S
Molecular Weight399.52 g/mol
Exact Mass399.17
IUPAC NameN-(furan-2-ylmethyl)-5-methyl-4-(4-propylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCCN1CCN(c2ncnc3sc(C(=O)NCc4ccco4)c(C)c23)CC1
InChIInChI=1S/C20H25N5O2S/c1-3-6-24-7-9-25(10-8-24)18-16-14(2)17(28-20(16)23-13-22-18)19(26)21-12-15-5-4-11-27-15/h4-5,11,13H,3,6-10,12H2,1-2H3,(H,21,26)
InChIKeyVKKYLVPVTBMVLY-UHFFFAOYSA-N
XLogP3.05
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.52
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(3-methoxyphenyl)methyl]-5-methyl-4-(4-propylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 46344842
5-methyl-N-(2-morpholin-4-ylethyl)-4-(4-propylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 46344814
5-methyl-4-(4-propylpiperazin-1-yl)-N-(3-pyrrolidin-1-ylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 46344823
5-methyl-N-(3-phenylpropyl)-4-(4-propylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 46344866
5-methyl-N-(3-morpholin-4-ylpropyl)-4-(4-propylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 46344805
N-(4-fluorophenyl)-5-methyl-4-(4-propylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 46344796
4-(4-ethylpiperazin-1-yl)-5-methyl-N-[(4-methylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 46344784
5-methyl-N-(4-phenylbutan-2-yl)-4-(4-propylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 46344835
N-(3,4-difluorophenyl)-5-methyl-4-(4-propylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 46344891
5-methyl-N-[(4-methylphenyl)methyl]-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 46344683
4-(4-ethylpiperazin-1-yl)-N-[(2-methoxyphenyl)methyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 20956833
azepan-1-yl-[5-methyl-4-(4-propylpiperazin-1-yl)thieno[2,3-d]pyrimidin-6-yl]methanone
CID 6617227

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-5-methyl-4-(4-propylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-5-methyl-4-(4-propylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide (CID 53085411) is N-(furan-2-ylmethyl)-5-methyl-4-(4-propylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-5-methyl-4-(4-propylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-5-methyl-4-(4-propylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide is CCCN1CCN(c2ncnc3sc(C(=O)NCc4ccco4)c(C)c23)CC1.
What is the InChIKey of N-(furan-2-ylmethyl)-5-methyl-4-(4-propylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is VKKYLVPVTBMVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2S/c1-3-6-24-7-9-25(10-8-24)18-16-14(2)17(28-20(16)23-13-22-18)19(26)21-12-15-5-4-11-27-15/h4-5,11,13H,3,6-10,12H2,1-2H3,(H,21,26).
What are the key properties of N-(furan-2-ylmethyl)-5-methyl-4-(4-propylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide?
N-(furan-2-ylmethyl)-5-methyl-4-(4-propylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 399.52 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-5-methyl-4-(4-propylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 53085411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).