4-(7-methylthieno[3,2-d]pyrimidin-4-yl)-N-phenylpiperazine-1-carboxamide

C18H19N5OS — CID 2808490

IUPAC4-(7-methylthieno[3,2-d]pyrimidin-4-yl)-N-phenylpiperazine-1-carboxamide
SMILESCc1csc2c(N3CCN(C(=O)Nc4ccccc4)CC3)ncnc12
InChIInChI=1S/C18H19N5OS/c1-13-11-25-16-15(13)19-12-20-17(16)22-7-9-23(10-8-22)18(24)21-14-5-3-2-4-6-14/h2-6,11-12H,7-10H2,1H3,(H,21,24)
InChIKeyHKQZNRMQCCDIOX-UHFFFAOYSA-N
MW353.45 g/mol
LogP3.35
Rot. Bonds2

About 4-(7-methylthieno[3,2-d]pyrimidin-4-yl)-N-phenylpiperazine-1-carboxamide

4-(7-methylthieno[3,2-d]pyrimidin-4-yl)-N-phenylpiperazine-1-carboxamide (PubChem CID 2808490) has the molecular formula C18H19N5OS and a molecular weight of 353.45 g/mol. Its IUPAC name is 4-(7-methylthieno[3,2-d]pyrimidin-4-yl)-N-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(7-methylthieno[3,2-d]pyrimidin-4-yl)-N-phenylpiperazine-1-carboxamide
PubChem CID2808490
Molecular FormulaC18H19N5OS
Molecular Weight353.45 g/mol
Exact Mass353.13
IUPAC Name4-(7-methylthieno[3,2-d]pyrimidin-4-yl)-N-phenylpiperazine-1-carboxamide
SMILESCc1csc2c(N3CCN(C(=O)Nc4ccccc4)CC3)ncnc12
InChIInChI=1S/C18H19N5OS/c1-13-11-25-16-15(13)19-12-20-17(16)22-7-9-23(10-8-22)18(24)21-14-5-3-2-4-6-14/h2-6,11-12H,7-10H2,1H3,(H,21,24)
InChIKeyHKQZNRMQCCDIOX-UHFFFAOYSA-N
XLogP3.35
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(7-methylthieno[3,2-d]pyrimidin-4-yl)-N-phenylpiperazine-1-carboxamide?
The IUPAC name of 4-(7-methylthieno[3,2-d]pyrimidin-4-yl)-N-phenylpiperazine-1-carboxamide (CID 2808490) is 4-(7-methylthieno[3,2-d]pyrimidin-4-yl)-N-phenylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(7-methylthieno[3,2-d]pyrimidin-4-yl)-N-phenylpiperazine-1-carboxamide?
The canonical SMILES for 4-(7-methylthieno[3,2-d]pyrimidin-4-yl)-N-phenylpiperazine-1-carboxamide is Cc1csc2c(N3CCN(C(=O)Nc4ccccc4)CC3)ncnc12.
What is the InChIKey of 4-(7-methylthieno[3,2-d]pyrimidin-4-yl)-N-phenylpiperazine-1-carboxamide?
The InChIKey is HKQZNRMQCCDIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5OS/c1-13-11-25-16-15(13)19-12-20-17(16)22-7-9-23(10-8-22)18(24)21-14-5-3-2-4-6-14/h2-6,11-12H,7-10H2,1H3,(H,21,24).
What are the key properties of 4-(7-methylthieno[3,2-d]pyrimidin-4-yl)-N-phenylpiperazine-1-carboxamide?
4-(7-methylthieno[3,2-d]pyrimidin-4-yl)-N-phenylpiperazine-1-carboxamide has a molecular weight of 353.45 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-methylthieno[3,2-d]pyrimidin-4-yl)-N-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 2808490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).