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

C14H20N4S — CID 6484477

IUPAC6-ethyl-2-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine
SMILESCCc1cc2c(N3CCN(C)CC3)nc(C)nc2s1
InChIInChI=1S/C14H20N4S/c1-4-11-9-12-13(15-10(2)16-14(12)19-11)18-7-5-17(3)6-8-18/h9H,4-8H2,1-3H3
InChIKeyGLMGSGYUGLOPAE-UHFFFAOYSA-N
MW276.41 g/mol
LogP2.31
Rot. Bonds2

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

6-ethyl-2-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine (PubChem CID 6484477) has the molecular formula C14H20N4S and a molecular weight of 276.41 g/mol. Its IUPAC name is 6-ethyl-2-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name6-ethyl-2-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine
PubChem CID6484477
Molecular FormulaC14H20N4S
Molecular Weight276.41 g/mol
Exact Mass276.14
IUPAC Name6-ethyl-2-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine
SMILESCCc1cc2c(N3CCN(C)CC3)nc(C)nc2s1
InChIInChI=1S/C14H20N4S/c1-4-11-9-12-13(15-10(2)16-14(12)19-11)18-7-5-17(3)6-8-18/h9H,4-8H2,1-3H3
InChIKeyGLMGSGYUGLOPAE-UHFFFAOYSA-N
XLogP2.31
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine?
The IUPAC name of 6-ethyl-2-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine (CID 6484477) is 6-ethyl-2-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine.
What is the SMILES notation for 6-ethyl-2-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine?
The canonical SMILES for 6-ethyl-2-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine is CCc1cc2c(N3CCN(C)CC3)nc(C)nc2s1.
What is the InChIKey of 6-ethyl-2-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine?
The InChIKey is GLMGSGYUGLOPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4S/c1-4-11-9-12-13(15-10(2)16-14(12)19-11)18-7-5-17(3)6-8-18/h9H,4-8H2,1-3H3.
What are the key properties of 6-ethyl-2-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine?
6-ethyl-2-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine has a molecular weight of 276.41 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine is sourced from PubChem (CID 6484477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).