(4-methylphenyl)-[4-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperazin-1-yl]methanone

C19H20N4OS — CID 2808482

IUPAC(4-methylphenyl)-[4-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperazin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCN(c3ncnc4c(C)csc34)CC2)cc1
InChIInChI=1S/C19H20N4OS/c1-13-3-5-15(6-4-13)19(24)23-9-7-22(8-10-23)18-17-16(20-12-21-18)14(2)11-25-17/h3-6,11-12H,7-10H2,1-2H3
InChIKeyCJXIFTNNRCEBOW-UHFFFAOYSA-N
MW352.46 g/mol
LogP3.27
Rot. Bonds2

About (4-methylphenyl)-[4-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperazin-1-yl]methanone

(4-methylphenyl)-[4-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperazin-1-yl]methanone (PubChem CID 2808482) has the molecular formula C19H20N4OS and a molecular weight of 352.46 g/mol. Its IUPAC name is (4-methylphenyl)-[4-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-methylphenyl)-[4-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperazin-1-yl]methanone
PubChem CID2808482
Molecular FormulaC19H20N4OS
Molecular Weight352.46 g/mol
Exact Mass352.14
IUPAC Name(4-methylphenyl)-[4-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperazin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCN(c3ncnc4c(C)csc34)CC2)cc1
InChIInChI=1S/C19H20N4OS/c1-13-3-5-15(6-4-13)19(24)23-9-7-22(8-10-23)18-17-16(20-12-21-18)14(2)11-25-17/h3-6,11-12H,7-10H2,1-2H3
InChIKeyCJXIFTNNRCEBOW-UHFFFAOYSA-N
XLogP3.27
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-[4-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperazin-1-yl]methanone?
The IUPAC name of (4-methylphenyl)-[4-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperazin-1-yl]methanone (CID 2808482) is (4-methylphenyl)-[4-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-methylphenyl)-[4-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for (4-methylphenyl)-[4-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperazin-1-yl]methanone is Cc1ccc(C(=O)N2CCN(c3ncnc4c(C)csc34)CC2)cc1.
What is the InChIKey of (4-methylphenyl)-[4-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperazin-1-yl]methanone?
The InChIKey is CJXIFTNNRCEBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4OS/c1-13-3-5-15(6-4-13)19(24)23-9-7-22(8-10-23)18-17-16(20-12-21-18)14(2)11-25-17/h3-6,11-12H,7-10H2,1-2H3.
What are the key properties of (4-methylphenyl)-[4-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperazin-1-yl]methanone?
(4-methylphenyl)-[4-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperazin-1-yl]methanone has a molecular weight of 352.46 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-[4-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 2808482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).