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

C12H18N4O3S — CID 135490333

IUPAC4-amino-2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one
SMILESCC1CN(C(=O)CSc2nc(N)cc(=O)[nH]2)CC(C)O1
InChIInChI=1S/C12H18N4O3S/c1-7-4-16(5-8(2)19-7)11(18)6-20-12-14-9(13)3-10(17)15-12/h3,7-8H,4-6H2,1-2H3,(H3,13,14,15,17)
InChIKeyWDJUNOJXIAAGMD-UHFFFAOYSA-N
MW298.37 g/mol
LogP0.08
Rot. Bonds3

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

4-amino-2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one (PubChem CID 135490333) has the molecular formula C12H18N4O3S and a molecular weight of 298.37 g/mol. Its IUPAC name is 4-amino-2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one
PubChem CID135490333
Molecular FormulaC12H18N4O3S
Molecular Weight298.37 g/mol
Exact Mass298.11
IUPAC Name4-amino-2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one
SMILESCC1CN(C(=O)CSc2nc(N)cc(=O)[nH]2)CC(C)O1
InChIInChI=1S/C12H18N4O3S/c1-7-4-16(5-8(2)19-7)11(18)6-20-12-14-9(13)3-10(17)15-12/h3,7-8H,4-6H2,1-2H3,(H3,13,14,15,17)
InChIKeyWDJUNOJXIAAGMD-UHFFFAOYSA-N
XLogP0.08
TPSA101.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one?
The IUPAC name of 4-amino-2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one (CID 135490333) is 4-amino-2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-amino-2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-amino-2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one is CC1CN(C(=O)CSc2nc(N)cc(=O)[nH]2)CC(C)O1.
What is the InChIKey of 4-amino-2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one?
The InChIKey is WDJUNOJXIAAGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3S/c1-7-4-16(5-8(2)19-7)11(18)6-20-12-14-9(13)3-10(17)15-12/h3,7-8H,4-6H2,1-2H3,(H3,13,14,15,17).
What are the key properties of 4-amino-2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one?
4-amino-2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one has a molecular weight of 298.37 g/mol, XLogP of 0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135490333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).