4-(4-methylpiperazin-1-yl)-6-phenylthieno[2,3-d]pyrimidine

C17H18N4S — CID 705261

IUPAC4-(4-methylpiperazin-1-yl)-6-phenylthieno[2,3-d]pyrimidine
SMILESCN1CCN(c2ncnc3sc(-c4ccccc4)cc23)CC1
InChIInChI=1S/C17H18N4S/c1-20-7-9-21(10-8-20)16-14-11-15(13-5-3-2-4-6-13)22-17(14)19-12-18-16/h2-6,11-12H,7-10H2,1H3
InChIKeyXWBHWYITYBXWOS-UHFFFAOYSA-N
MW310.43 g/mol
LogP3.11
Rot. Bonds2

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

4-(4-methylpiperazin-1-yl)-6-phenylthieno[2,3-d]pyrimidine (PubChem CID 705261) has the molecular formula C17H18N4S and a molecular weight of 310.43 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)-6-phenylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)-6-phenylthieno[2,3-d]pyrimidine
PubChem CID705261
Molecular FormulaC17H18N4S
Molecular Weight310.43 g/mol
Exact Mass310.13
IUPAC Name4-(4-methylpiperazin-1-yl)-6-phenylthieno[2,3-d]pyrimidine
SMILESCN1CCN(c2ncnc3sc(-c4ccccc4)cc23)CC1
InChIInChI=1S/C17H18N4S/c1-20-7-9-21(10-8-20)16-14-11-15(13-5-3-2-4-6-13)22-17(14)19-12-18-16/h2-6,11-12H,7-10H2,1H3
InChIKeyXWBHWYITYBXWOS-UHFFFAOYSA-N
XLogP3.11
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.43
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)-6-phenylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-(4-methylpiperazin-1-yl)-6-phenylthieno[2,3-d]pyrimidine (CID 705261) is 4-(4-methylpiperazin-1-yl)-6-phenylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)-6-phenylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)-6-phenylthieno[2,3-d]pyrimidine is CN1CCN(c2ncnc3sc(-c4ccccc4)cc23)CC1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)-6-phenylthieno[2,3-d]pyrimidine?
The InChIKey is XWBHWYITYBXWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4S/c1-20-7-9-21(10-8-20)16-14-11-15(13-5-3-2-4-6-13)22-17(14)19-12-18-16/h2-6,11-12H,7-10H2,1H3.
What are the key properties of 4-(4-methylpiperazin-1-yl)-6-phenylthieno[2,3-d]pyrimidine?
4-(4-methylpiperazin-1-yl)-6-phenylthieno[2,3-d]pyrimidine has a molecular weight of 310.43 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)-6-phenylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 705261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).