Ethyl 5-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxylate

C15H20N4O2S — CID 733150

IUPACethyl 5-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)C1=C(C2=C(N=CN=C2S1)N3CCN(CC3)C)C
InChIInChI=1S/C15H20N4O2S/c1-4-21-15(20)12-10(2)11-13(16-9-17-14(11)22-12)19-7-5-18(3)6-8-19/h9H,4-8H2,1-3H3
InChIKeyGEGMMRMICSJTHI-UHFFFAOYSA-N
MW320.40 g/mol
LogP2.70
Rot. Bonds4

About Ethyl 5-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxylate

Ethyl 5-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxylate (PubChem CID 733150) has the molecular formula C15H20N4O2S and a molecular weight of 320.40 g/mol. Its IUPAC name is ethyl 5-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound NameEthyl 5-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxylate
PubChem CID733150
Molecular FormulaC15H20N4O2S
Molecular Weight320.40 g/mol
Exact Mass320.13
IUPAC Nameethyl 5-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)C1=C(C2=C(N=CN=C2S1)N3CCN(CC3)C)C
InChIInChI=1S/C15H20N4O2S/c1-4-21-15(20)12-10(2)11-13(16-9-17-14(11)22-12)19-7-5-18(3)6-8-19/h9H,4-8H2,1-3H3
InChIKeyGEGMMRMICSJTHI-UHFFFAOYSA-N
XLogP2.70
TPSA86.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity403

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

Methyl 5-methyl-4-(4-methyl-1-piperazinyl)-2-phenylthieno[2,3-d]pyrimidine-6-carboxylate
CID 1344279
Ethyl 4-methoxy-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 658409
Ethyl 4-(2-amino-2-oxoethyl)sulfanyl-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
CID 2413168
Ethyl 2-(2-methoxy-2-oxoethyl)-4-[(2-methoxy-2-oxoethyl)amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 3244509
Ethyl 4-chloro-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 2103964
Ethyl 4-(12,12-dimethyl-5-methylsulfanyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl)piperazine-1-carboxylate
CID 664170
Ethyl 4-(4-ethylpiperazin-1-yl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 714518
Ethyl 4-[2-(dimethylamino)ethylamino]-5-methyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate
CID 2090719
Ethyl 2,5-dimethyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxylate
CID 2371909
Methyl 4-(3,3-dimethyl-2-oxobutyl)sulfanyl-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
CID 2403982
1-[2-(6-Methoxycarbonyl-2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]piperidine-4-carboxylic acid
CID 2406693
5-Methyl-4-(2-methyl-1-piperidinyl)thieno[2,3-d]pyrimidine-6-carboxylic acid
CID 2948575

Frequently Asked Questions

What is the IUPAC name of Ethyl 5-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of Ethyl 5-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxylate (CID 733150) is ethyl 5-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for Ethyl 5-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for Ethyl 5-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxylate is CCOC(=O)C1=C(C2=C(N=CN=C2S1)N3CCN(CC3)C)C.
What is the InChIKey of Ethyl 5-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is GEGMMRMICSJTHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S/c1-4-21-15(20)12-10(2)11-13(16-9-17-14(11)22-12)19-7-5-18(3)6-8-19/h9H,4-8H2,1-3H3.
What are the key properties of Ethyl 5-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxylate?
Ethyl 5-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 320.40 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for Ethyl 5-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 733150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).