4-amino-2-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-5-phenyl-1H-pyrimidin-6-one

C19H24N4O2S — CID 135414693

IUPAC4-amino-2-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-5-phenyl-1H-pyrimidin-6-one
SMILESCC1CCCC(C)N1C(=O)CSc1nc(N)c(-c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C19H24N4O2S/c1-12-7-6-8-13(2)23(12)15(24)11-26-19-21-17(20)16(18(25)22-19)14-9-4-3-5-10-14/h3-5,9-10,12-13H,6-8,11H2,1-2H3,(H3,20,21,22,25)
InChIKeyDVAITSLMLOSNOV-UHFFFAOYSA-N
MW372.49 g/mol
LogP2.90
Rot. Bonds4

About 4-amino-2-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-5-phenyl-1H-pyrimidin-6-one

4-amino-2-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-5-phenyl-1H-pyrimidin-6-one (PubChem CID 135414693) has the molecular formula C19H24N4O2S and a molecular weight of 372.49 g/mol. Its IUPAC name is 4-amino-2-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-5-phenyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-2-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-5-phenyl-1H-pyrimidin-6-one
PubChem CID135414693
Molecular FormulaC19H24N4O2S
Molecular Weight372.49 g/mol
Exact Mass372.16
IUPAC Name4-amino-2-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-5-phenyl-1H-pyrimidin-6-one
SMILESCC1CCCC(C)N1C(=O)CSc1nc(N)c(-c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C19H24N4O2S/c1-12-7-6-8-13(2)23(12)15(24)11-26-19-21-17(20)16(18(25)22-19)14-9-4-3-5-10-14/h3-5,9-10,12-13H,6-8,11H2,1-2H3,(H3,20,21,22,25)
InChIKeyDVAITSLMLOSNOV-UHFFFAOYSA-N
XLogP2.90
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-5-phenyl-1H-pyrimidin-6-one?
The IUPAC name of 4-amino-2-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-5-phenyl-1H-pyrimidin-6-one (CID 135414693) is 4-amino-2-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-5-phenyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-amino-2-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-5-phenyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-amino-2-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-5-phenyl-1H-pyrimidin-6-one is CC1CCCC(C)N1C(=O)CSc1nc(N)c(-c2ccccc2)c(=O)[nH]1.
What is the InChIKey of 4-amino-2-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-5-phenyl-1H-pyrimidin-6-one?
The InChIKey is DVAITSLMLOSNOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2S/c1-12-7-6-8-13(2)23(12)15(24)11-26-19-21-17(20)16(18(25)22-19)14-9-4-3-5-10-14/h3-5,9-10,12-13H,6-8,11H2,1-2H3,(H3,20,21,22,25).
What are the key properties of 4-amino-2-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-5-phenyl-1H-pyrimidin-6-one?
4-amino-2-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-5-phenyl-1H-pyrimidin-6-one has a molecular weight of 372.49 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-5-phenyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135414693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).