4-methyl-2-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]-1H-pyrimidin-6-one

C15H20N4OS — CID 167868607

IUPAC4-methyl-2-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(N2CCN(C(C)c3ccsc3)CC2)n1
InChIInChI=1S/C15H20N4OS/c1-11-9-14(20)17-15(16-11)19-6-4-18(5-7-19)12(2)13-3-8-21-10-13/h3,8-10,12H,4-7H2,1-2H3,(H,16,17,20)
InChIKeyDUUMWZSITDHZRU-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.02
Rot. Bonds3

About 4-methyl-2-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]-1H-pyrimidin-6-one

4-methyl-2-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]-1H-pyrimidin-6-one (PubChem CID 167868607) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is 4-methyl-2-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-2-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]-1H-pyrimidin-6-one
PubChem CID167868607
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name4-methyl-2-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(N2CCN(C(C)c3ccsc3)CC2)n1
InChIInChI=1S/C15H20N4OS/c1-11-9-14(20)17-15(16-11)19-6-4-18(5-7-19)12(2)13-3-8-21-10-13/h3,8-10,12H,4-7H2,1-2H3,(H,16,17,20)
InChIKeyDUUMWZSITDHZRU-UHFFFAOYSA-N
XLogP2.02
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-2-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]-1H-pyrimidin-6-one (CID 167868607) is 4-methyl-2-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-2-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-2-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(N2CCN(C(C)c3ccsc3)CC2)n1.
What is the InChIKey of 4-methyl-2-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is DUUMWZSITDHZRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-11-9-14(20)17-15(16-11)19-6-4-18(5-7-19)12(2)13-3-8-21-10-13/h3,8-10,12H,4-7H2,1-2H3,(H,16,17,20).
What are the key properties of 4-methyl-2-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]-1H-pyrimidin-6-one?
4-methyl-2-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 304.42 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 167868607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).