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

C21H32N6O2S — CID 46344814

IUPAC5-methyl-N-(2-morpholin-4-ylethyl)-4-(4-propylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCCN1CCN(c2ncnc3sc(C(=O)NCCN4CCOCC4)c(C)c23)CC1
InChIInChI=1S/C21H32N6O2S/c1-3-5-25-7-9-27(10-8-25)19-17-16(2)18(30-21(17)24-15-23-19)20(28)22-4-6-26-11-13-29-14-12-26/h15H,3-14H2,1-2H3,(H,22,28)
InChIKeyZPGJRGGQRPLXEV-UHFFFAOYSA-N
MW432.59 g/mol
LogP1.59
Rot. Bonds7

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

5-methyl-N-(2-morpholin-4-ylethyl)-4-(4-propylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 46344814) has the molecular formula C21H32N6O2S and a molecular weight of 432.59 g/mol. Its IUPAC name is 5-methyl-N-(2-morpholin-4-ylethyl)-4-(4-propylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(2-morpholin-4-ylethyl)-4-(4-propylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID46344814
Molecular FormulaC21H32N6O2S
Molecular Weight432.59 g/mol
Exact Mass432.23
IUPAC Name5-methyl-N-(2-morpholin-4-ylethyl)-4-(4-propylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCCN1CCN(c2ncnc3sc(C(=O)NCCN4CCOCC4)c(C)c23)CC1
InChIInChI=1S/C21H32N6O2S/c1-3-5-25-7-9-27(10-8-25)19-17-16(2)18(30-21(17)24-15-23-19)20(28)22-4-6-26-11-13-29-14-12-26/h15H,3-14H2,1-2H3,(H,22,28)
InChIKeyZPGJRGGQRPLXEV-UHFFFAOYSA-N
XLogP1.59
TPSA73.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.59
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-methyl-N-(3-morpholin-4-ylpropyl)-4-(4-propylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 46344805
5-methyl-4-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 46344630
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
N-(furan-2-ylmethyl)-5-methyl-4-(4-propylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 53085411
2,5-dimethyl-4-morpholin-4-yl-N-(2-morpholin-4-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 4602022
N-(4-fluorophenyl)-5-methyl-4-(4-propylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 46344796
5-methyl-4-(4-methylpiperazin-1-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 46344718
N-[(3-methoxyphenyl)methyl]-5-methyl-4-(4-propylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 46344842
N-(2-methoxyethyl)-5-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 46344626
azepan-1-yl-[5-methyl-4-(4-propylpiperazin-1-yl)thieno[2,3-d]pyrimidin-6-yl]methanone
CID 6617227
N-(3,4-difluorophenyl)-5-methyl-4-(4-propylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 46344891

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-morpholin-4-ylethyl)-4-(4-propylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 5-methyl-N-(2-morpholin-4-ylethyl)-4-(4-propylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide (CID 46344814) is 5-methyl-N-(2-morpholin-4-ylethyl)-4-(4-propylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-methyl-N-(2-morpholin-4-ylethyl)-4-(4-propylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 5-methyl-N-(2-morpholin-4-ylethyl)-4-(4-propylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide is CCCN1CCN(c2ncnc3sc(C(=O)NCCN4CCOCC4)c(C)c23)CC1.
What is the InChIKey of 5-methyl-N-(2-morpholin-4-ylethyl)-4-(4-propylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is ZPGJRGGQRPLXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N6O2S/c1-3-5-25-7-9-27(10-8-25)19-17-16(2)18(30-21(17)24-15-23-19)20(28)22-4-6-26-11-13-29-14-12-26/h15H,3-14H2,1-2H3,(H,22,28).
What are the key properties of 5-methyl-N-(2-morpholin-4-ylethyl)-4-(4-propylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide?
5-methyl-N-(2-morpholin-4-ylethyl)-4-(4-propylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 432.59 g/mol, XLogP of 1.59, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2-morpholin-4-ylethyl)-4-(4-propylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 46344814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).