N-[2-methoxy-4-(4-methylpiperazine-1-carbonyl)phenyl]thieno[3,2-d]pyrimidine-7-carboxamide

C20H21N5O3S — CID 127049266

IUPACN-[2-methoxy-4-(4-methylpiperazine-1-carbonyl)phenyl]thieno[3,2-d]pyrimidine-7-carboxamide
SMILESCOc1cc(C(=O)N2CCN(C)CC2)ccc1NC(=O)c1csc2cncnc12
InChIInChI=1S/C20H21N5O3S/c1-24-5-7-25(8-6-24)20(27)13-3-4-15(16(9-13)28-2)23-19(26)14-11-29-17-10-21-12-22-18(14)17/h3-4,9-12H,5-8H2,1-2H3,(H,23,26)
InChIKeyIKFWNJULDLDZTG-UHFFFAOYSA-N
MW411.49 g/mol
LogP2.34
Rot. Bonds4

About N-[2-methoxy-4-(4-methylpiperazine-1-carbonyl)phenyl]thieno[3,2-d]pyrimidine-7-carboxamide

N-[2-methoxy-4-(4-methylpiperazine-1-carbonyl)phenyl]thieno[3,2-d]pyrimidine-7-carboxamide (PubChem CID 127049266) has the molecular formula C20H21N5O3S and a molecular weight of 411.49 g/mol. Its IUPAC name is N-[2-methoxy-4-(4-methylpiperazine-1-carbonyl)phenyl]thieno[3,2-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-[2-methoxy-4-(4-methylpiperazine-1-carbonyl)phenyl]thieno[3,2-d]pyrimidine-7-carboxamide
PubChem CID127049266
Molecular FormulaC20H21N5O3S
Molecular Weight411.49 g/mol
Exact Mass411.14
IUPAC NameN-[2-methoxy-4-(4-methylpiperazine-1-carbonyl)phenyl]thieno[3,2-d]pyrimidine-7-carboxamide
SMILESCOc1cc(C(=O)N2CCN(C)CC2)ccc1NC(=O)c1csc2cncnc12
InChIInChI=1S/C20H21N5O3S/c1-24-5-7-25(8-6-24)20(27)13-3-4-15(16(9-13)28-2)23-19(26)14-11-29-17-10-21-12-22-18(14)17/h3-4,9-12H,5-8H2,1-2H3,(H,23,26)
InChIKeyIKFWNJULDLDZTG-UHFFFAOYSA-N
XLogP2.34
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.49
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(2-aminoethyl)(methyl)amino]-N-(7-methoxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide
CID 58056092
3-((2-((1-(Dimethylglycyl)-6-methoxy-1,2,3,4-tetrahydroquinolin-7-yl)amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)thiophene-2-carboxamide
CID 25210971
4-amino-3-(3-methoxy-4-(1-methyl-1H-indole-2-carboxamido)phenyl)thieno[3,2-c]pyridine-7-carboxamide
CID 18450829
4-amino-N-(2-(dimethylamino)ethyl)-3-(3-methoxy-4-(1-methyl-1H-indole-2-carboxamido)phenyl)thieno[3,2-c]pyridine-7-carboxamide
CID 18450843
3-(2-(2-methoxy-4-(1-propylpiperidin-4-yl)phenylamino)-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)thiophene-2-carboxamide
CID 44581220
3-methoxy-4-(4-methylimidazol-1-yl)-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]benzamide
CID 46899011
N-(7-methoxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide
CID 58056356
13-[2-Methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]anilino]-2,5,9-trimethyl-4-thia-2,6,9,12,14-pentazatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),5,10,12-pentaen-8-one
CID 155287607
3-methoxy-N-methyl-4-[(2,5,9-trimethyl-8-oxo-4-thia-2,6,9,12,14-pentazatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),5,10,12-pentaen-13-yl)amino]benzamide
CID 155721838
4-[[(4R)-4-ethyl-5-(thiophen-3-ylmethyl)-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide
CID 156775106
4-[[(4R)-4-ethyl-5-(thiophen-2-ylmethyl)-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide
CID 156775108
4-[[(4R)-4-ethyl-1-methyl-5-(thiophen-2-ylmethyl)-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide
CID 162655000

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-4-(4-methylpiperazine-1-carbonyl)phenyl]thieno[3,2-d]pyrimidine-7-carboxamide?
The IUPAC name of N-[2-methoxy-4-(4-methylpiperazine-1-carbonyl)phenyl]thieno[3,2-d]pyrimidine-7-carboxamide (CID 127049266) is N-[2-methoxy-4-(4-methylpiperazine-1-carbonyl)phenyl]thieno[3,2-d]pyrimidine-7-carboxamide.
What is the SMILES notation for N-[2-methoxy-4-(4-methylpiperazine-1-carbonyl)phenyl]thieno[3,2-d]pyrimidine-7-carboxamide?
The canonical SMILES for N-[2-methoxy-4-(4-methylpiperazine-1-carbonyl)phenyl]thieno[3,2-d]pyrimidine-7-carboxamide is COc1cc(C(=O)N2CCN(C)CC2)ccc1NC(=O)c1csc2cncnc12.
What is the InChIKey of N-[2-methoxy-4-(4-methylpiperazine-1-carbonyl)phenyl]thieno[3,2-d]pyrimidine-7-carboxamide?
The InChIKey is IKFWNJULDLDZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3S/c1-24-5-7-25(8-6-24)20(27)13-3-4-15(16(9-13)28-2)23-19(26)14-11-29-17-10-21-12-22-18(14)17/h3-4,9-12H,5-8H2,1-2H3,(H,23,26).
What are the key properties of N-[2-methoxy-4-(4-methylpiperazine-1-carbonyl)phenyl]thieno[3,2-d]pyrimidine-7-carboxamide?
N-[2-methoxy-4-(4-methylpiperazine-1-carbonyl)phenyl]thieno[3,2-d]pyrimidine-7-carboxamide has a molecular weight of 411.49 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-4-(4-methylpiperazine-1-carbonyl)phenyl]thieno[3,2-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 127049266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).