2-(4-ethylpiperazin-1-yl)-4-(propan-2-ylsulfanylmethyl)-1H-pyrimidin-6-one

C14H24N4OS — CID 136780320

IUPAC2-(4-ethylpiperazin-1-yl)-4-(propan-2-ylsulfanylmethyl)-1H-pyrimidin-6-one
SMILESCCN1CCN(c2nc(CSC(C)C)cc(=O)[nH]2)CC1
InChIInChI=1S/C14H24N4OS/c1-4-17-5-7-18(8-6-17)14-15-12(9-13(19)16-14)10-20-11(2)3/h9,11H,4-8,10H2,1-3H3,(H,15,16,19)
InChIKeyQKXZUBANIJFUTF-UHFFFAOYSA-N
MW296.44 g/mol
LogP1.55
Rot. Bonds5

About 2-(4-ethylpiperazin-1-yl)-4-(propan-2-ylsulfanylmethyl)-1H-pyrimidin-6-one

2-(4-ethylpiperazin-1-yl)-4-(propan-2-ylsulfanylmethyl)-1H-pyrimidin-6-one (PubChem CID 136780320) has the molecular formula C14H24N4OS and a molecular weight of 296.44 g/mol. Its IUPAC name is 2-(4-ethylpiperazin-1-yl)-4-(propan-2-ylsulfanylmethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(4-ethylpiperazin-1-yl)-4-(propan-2-ylsulfanylmethyl)-1H-pyrimidin-6-one
PubChem CID136780320
Molecular FormulaC14H24N4OS
Molecular Weight296.44 g/mol
Exact Mass296.17
IUPAC Name2-(4-ethylpiperazin-1-yl)-4-(propan-2-ylsulfanylmethyl)-1H-pyrimidin-6-one
SMILESCCN1CCN(c2nc(CSC(C)C)cc(=O)[nH]2)CC1
InChIInChI=1S/C14H24N4OS/c1-4-17-5-7-18(8-6-17)14-15-12(9-13(19)16-14)10-20-11(2)3/h9,11H,4-8,10H2,1-3H3,(H,15,16,19)
InChIKeyQKXZUBANIJFUTF-UHFFFAOYSA-N
XLogP1.55
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperazin-1-yl)-4-(propan-2-ylsulfanylmethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(4-ethylpiperazin-1-yl)-4-(propan-2-ylsulfanylmethyl)-1H-pyrimidin-6-one (CID 136780320) is 2-(4-ethylpiperazin-1-yl)-4-(propan-2-ylsulfanylmethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(4-ethylpiperazin-1-yl)-4-(propan-2-ylsulfanylmethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(4-ethylpiperazin-1-yl)-4-(propan-2-ylsulfanylmethyl)-1H-pyrimidin-6-one is CCN1CCN(c2nc(CSC(C)C)cc(=O)[nH]2)CC1.
What is the InChIKey of 2-(4-ethylpiperazin-1-yl)-4-(propan-2-ylsulfanylmethyl)-1H-pyrimidin-6-one?
The InChIKey is QKXZUBANIJFUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4OS/c1-4-17-5-7-18(8-6-17)14-15-12(9-13(19)16-14)10-20-11(2)3/h9,11H,4-8,10H2,1-3H3,(H,15,16,19).
What are the key properties of 2-(4-ethylpiperazin-1-yl)-4-(propan-2-ylsulfanylmethyl)-1H-pyrimidin-6-one?
2-(4-ethylpiperazin-1-yl)-4-(propan-2-ylsulfanylmethyl)-1H-pyrimidin-6-one has a molecular weight of 296.44 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperazin-1-yl)-4-(propan-2-ylsulfanylmethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136780320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).