(6S)-6-benzyl-4-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]piperazin-2-one

C19H25N5O — CID 137335144

IUPAC(6S)-6-benzyl-4-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]piperazin-2-one
SMILESCCc1cc(N2CC(=O)N[C@@H](Cc3ccccc3)C2)nc(N(C)C)n1
InChIInChI=1S/C19H25N5O/c1-4-15-11-17(22-19(21-15)23(2)3)24-12-16(20-18(25)13-24)10-14-8-6-5-7-9-14/h5-9,11,16H,4,10,12-13H2,1-3H3,(H,20,25)/t16-/m0/s1
InChIKeyUDDAHBGRBTXWIW-INIZCTEOSA-N
MW339.44 g/mol
LogP1.65
Rot. Bonds5

About (6S)-6-benzyl-4-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]piperazin-2-one

(6S)-6-benzyl-4-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]piperazin-2-one (PubChem CID 137335144) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is (6S)-6-benzyl-4-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]piperazin-2-one.

Molecular Properties

Compound Name(6S)-6-benzyl-4-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]piperazin-2-one
PubChem CID137335144
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name(6S)-6-benzyl-4-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]piperazin-2-one
SMILESCCc1cc(N2CC(=O)N[C@@H](Cc3ccccc3)C2)nc(N(C)C)n1
InChIInChI=1S/C19H25N5O/c1-4-15-11-17(22-19(21-15)23(2)3)24-12-16(20-18(25)13-24)10-14-8-6-5-7-9-14/h5-9,11,16H,4,10,12-13H2,1-3H3,(H,20,25)/t16-/m0/s1
InChIKeyUDDAHBGRBTXWIW-INIZCTEOSA-N
XLogP1.65
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6S)-6-benzyl-4-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]piperazin-2-one?
The IUPAC name of (6S)-6-benzyl-4-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]piperazin-2-one (CID 137335144) is (6S)-6-benzyl-4-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]piperazin-2-one.
What is the SMILES notation for (6S)-6-benzyl-4-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]piperazin-2-one?
The canonical SMILES for (6S)-6-benzyl-4-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]piperazin-2-one is CCc1cc(N2CC(=O)N[C@@H](Cc3ccccc3)C2)nc(N(C)C)n1.
What is the InChIKey of (6S)-6-benzyl-4-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]piperazin-2-one?
The InChIKey is UDDAHBGRBTXWIW-INIZCTEOSA-N. The full InChI is InChI=1S/C19H25N5O/c1-4-15-11-17(22-19(21-15)23(2)3)24-12-16(20-18(25)13-24)10-14-8-6-5-7-9-14/h5-9,11,16H,4,10,12-13H2,1-3H3,(H,20,25)/t16-/m0/s1.
What are the key properties of (6S)-6-benzyl-4-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]piperazin-2-one?
(6S)-6-benzyl-4-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]piperazin-2-one has a molecular weight of 339.44 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-benzyl-4-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]piperazin-2-one is sourced from PubChem (CID 137335144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).