(4-ethylpyrimidin-5-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone

C16H20N4OS — CID 56814043

IUPAC(4-ethylpyrimidin-5-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
SMILESCCc1ncncc1C(=O)N1CCN(Cc2ccsc2)CC1
InChIInChI=1S/C16H20N4OS/c1-2-15-14(9-17-12-18-15)16(21)20-6-4-19(5-7-20)10-13-3-8-22-11-13/h3,8-9,11-12H,2,4-7,10H2,1H3
InChIKeyWGFUWTDOHDPDPV-UHFFFAOYSA-N
MW316.43 g/mol
LogP2.06
Rot. Bonds4

About (4-ethylpyrimidin-5-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone

(4-ethylpyrimidin-5-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone (PubChem CID 56814043) has the molecular formula C16H20N4OS and a molecular weight of 316.43 g/mol. Its IUPAC name is (4-ethylpyrimidin-5-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-ethylpyrimidin-5-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
PubChem CID56814043
Molecular FormulaC16H20N4OS
Molecular Weight316.43 g/mol
Exact Mass316.14
IUPAC Name(4-ethylpyrimidin-5-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
SMILESCCc1ncncc1C(=O)N1CCN(Cc2ccsc2)CC1
InChIInChI=1S/C16H20N4OS/c1-2-15-14(9-17-12-18-15)16(21)20-6-4-19(5-7-20)10-13-3-8-22-11-13/h3,8-9,11-12H,2,4-7,10H2,1H3
InChIKeyWGFUWTDOHDPDPV-UHFFFAOYSA-N
XLogP2.06
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-ethylpyrimidin-5-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of (4-ethylpyrimidin-5-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone (CID 56814043) is (4-ethylpyrimidin-5-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-ethylpyrimidin-5-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-ethylpyrimidin-5-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone is CCc1ncncc1C(=O)N1CCN(Cc2ccsc2)CC1.
What is the InChIKey of (4-ethylpyrimidin-5-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is WGFUWTDOHDPDPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4OS/c1-2-15-14(9-17-12-18-15)16(21)20-6-4-19(5-7-20)10-13-3-8-22-11-13/h3,8-9,11-12H,2,4-7,10H2,1H3.
What are the key properties of (4-ethylpyrimidin-5-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone?
(4-ethylpyrimidin-5-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 316.43 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpyrimidin-5-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 56814043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).