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

C19H21N5O2S — CID 127048451

IUPACN-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]thieno[3,2-d]pyrimidine-7-carboxamide
SMILESCOc1cc(N2CCN(C)CC2)ccc1NC(=O)c1csc2cncnc12
InChIInChI=1S/C19H21N5O2S/c1-23-5-7-24(8-6-23)13-3-4-15(16(9-13)26-2)22-19(25)14-11-27-17-10-20-12-21-18(14)17/h3-4,9-12H,5-8H2,1-2H3,(H,22,25)
InChIKeyZLICGWNMYARRTJ-UHFFFAOYSA-N
MW383.48 g/mol
LogP2.70
Rot. Bonds4

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

N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]thieno[3,2-d]pyrimidine-7-carboxamide (PubChem CID 127048451) has the molecular formula C19H21N5O2S and a molecular weight of 383.48 g/mol. Its IUPAC name is N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]thieno[3,2-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]thieno[3,2-d]pyrimidine-7-carboxamide
PubChem CID127048451
Molecular FormulaC19H21N5O2S
Molecular Weight383.48 g/mol
Exact Mass383.14
IUPAC NameN-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]thieno[3,2-d]pyrimidine-7-carboxamide
SMILESCOc1cc(N2CCN(C)CC2)ccc1NC(=O)c1csc2cncnc12
InChIInChI=1S/C19H21N5O2S/c1-23-5-7-24(8-6-23)13-3-4-15(16(9-13)26-2)22-19(25)14-11-27-17-10-20-12-21-18(14)17/h3-4,9-12H,5-8H2,1-2H3,(H,22,25)
InChIKeyZLICGWNMYARRTJ-UHFFFAOYSA-N
XLogP2.70
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.48
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]pyrimido[4,5-d]pyrimidin-2-one
CID 163387115
2-methoxy-4-(4-methylpiperazin-1-yl)benzoyl chloride
CID 142792187
methyl 2-methoxy-4-(4-methylpiperazin-1-yl)benzoate
CID 66996253
5,8-dimethoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]quinazolin-6-amine
CID 162646712
6-methoxy-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]pyridine-3-carboxamide
CID 18127997
[4-(4-acetylpiperazin-1-yl)-2-methoxyphenyl]thiourea
CID 169356268
N-(2-methoxy-4-morpholin-4-ylphenyl)-8-(4-methylpiperazin-1-yl)-4-oxochromene-2-carboxamide
CID 23533346
methyl 2-methoxy-5-(4-methylpiperazin-1-yl)benzoate
CID 176816359
5-chloro-2-methoxy-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]benzamide
CID 55788209
N-(2-methoxyphenyl)-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 66504208
2-methoxy-N-(2-methoxy-4-pyrrolidin-1-ylphenyl)acetamide
CID 168512322
methyl 2-[2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]thieno[3,2-d]pyrimidin-4-yl]sulfanylbenzoate
CID 134256318

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]thieno[3,2-d]pyrimidine-7-carboxamide?
The IUPAC name of N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]thieno[3,2-d]pyrimidine-7-carboxamide (CID 127048451) is N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]thieno[3,2-d]pyrimidine-7-carboxamide.
What is the SMILES notation for N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]thieno[3,2-d]pyrimidine-7-carboxamide?
The canonical SMILES for N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]thieno[3,2-d]pyrimidine-7-carboxamide is COc1cc(N2CCN(C)CC2)ccc1NC(=O)c1csc2cncnc12.
What is the InChIKey of N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]thieno[3,2-d]pyrimidine-7-carboxamide?
The InChIKey is ZLICGWNMYARRTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2S/c1-23-5-7-24(8-6-23)13-3-4-15(16(9-13)26-2)22-19(25)14-11-27-17-10-20-12-21-18(14)17/h3-4,9-12H,5-8H2,1-2H3,(H,22,25).
What are the key properties of N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]thieno[3,2-d]pyrimidine-7-carboxamide?
N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]thieno[3,2-d]pyrimidine-7-carboxamide has a molecular weight of 383.48 g/mol, XLogP of 2.70, 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-methylpiperazin-1-yl)phenyl]thieno[3,2-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 127048451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).