1-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-3-(1-methyltriazol-4-yl)propan-1-one

C17H21N7OS — CID 136553805

IUPAC1-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-3-(1-methyltriazol-4-yl)propan-1-one
SMILESCc1cc2c(N3CCN(C(=O)CCc4cn(C)nn4)CC3)ncnc2s1
InChIInChI=1S/C17H21N7OS/c1-12-9-14-16(18-11-19-17(14)26-12)24-7-5-23(6-8-24)15(25)4-3-13-10-22(2)21-20-13/h9-11H,3-8H2,1-2H3
InChIKeyABFXFTDMBLUKQA-UHFFFAOYSA-N
MW371.47 g/mol
LogP1.41
Rot. Bonds4

About 1-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-3-(1-methyltriazol-4-yl)propan-1-one

1-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-3-(1-methyltriazol-4-yl)propan-1-one (PubChem CID 136553805) has the molecular formula C17H21N7OS and a molecular weight of 371.47 g/mol. Its IUPAC name is 1-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-3-(1-methyltriazol-4-yl)propan-1-one.

Molecular Properties

Compound Name1-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-3-(1-methyltriazol-4-yl)propan-1-one
PubChem CID136553805
Molecular FormulaC17H21N7OS
Molecular Weight371.47 g/mol
Exact Mass371.15
IUPAC Name1-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-3-(1-methyltriazol-4-yl)propan-1-one
SMILESCc1cc2c(N3CCN(C(=O)CCc4cn(C)nn4)CC3)ncnc2s1
InChIInChI=1S/C17H21N7OS/c1-12-9-14-16(18-11-19-17(14)26-12)24-7-5-23(6-8-24)15(25)4-3-13-10-22(2)21-20-13/h9-11H,3-8H2,1-2H3
InChIKeyABFXFTDMBLUKQA-UHFFFAOYSA-N
XLogP1.41
TPSA80.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.47
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-3-(1-methyltriazol-4-yl)propan-1-one?
The IUPAC name of 1-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-3-(1-methyltriazol-4-yl)propan-1-one (CID 136553805) is 1-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-3-(1-methyltriazol-4-yl)propan-1-one.
What is the SMILES notation for 1-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-3-(1-methyltriazol-4-yl)propan-1-one?
The canonical SMILES for 1-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-3-(1-methyltriazol-4-yl)propan-1-one is Cc1cc2c(N3CCN(C(=O)CCc4cn(C)nn4)CC3)ncnc2s1.
What is the InChIKey of 1-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-3-(1-methyltriazol-4-yl)propan-1-one?
The InChIKey is ABFXFTDMBLUKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7OS/c1-12-9-14-16(18-11-19-17(14)26-12)24-7-5-23(6-8-24)15(25)4-3-13-10-22(2)21-20-13/h9-11H,3-8H2,1-2H3.
What are the key properties of 1-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-3-(1-methyltriazol-4-yl)propan-1-one?
1-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-3-(1-methyltriazol-4-yl)propan-1-one has a molecular weight of 371.47 g/mol, XLogP of 1.41, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-3-(1-methyltriazol-4-yl)propan-1-one is sourced from PubChem (CID 136553805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).