5-methoxy-4-(2-thiomorpholin-4-ylethylamino)-1H-pyrimidin-6-one

C11H18N4O2S — CID 136876834

IUPAC5-methoxy-4-(2-thiomorpholin-4-ylethylamino)-1H-pyrimidin-6-one
SMILESCOc1c(NCCN2CCSCC2)nc[nH]c1=O
InChIInChI=1S/C11H18N4O2S/c1-17-9-10(13-8-14-11(9)16)12-2-3-15-4-6-18-7-5-15/h8H,2-7H2,1H3,(H2,12,13,14,16)
InChIKeySMTXRTHLKOIWLR-UHFFFAOYSA-N
MW270.36 g/mol
LogP0.24
Rot. Bonds5

About 5-methoxy-4-(2-thiomorpholin-4-ylethylamino)-1H-pyrimidin-6-one

5-methoxy-4-(2-thiomorpholin-4-ylethylamino)-1H-pyrimidin-6-one (PubChem CID 136876834) has the molecular formula C11H18N4O2S and a molecular weight of 270.36 g/mol. Its IUPAC name is 5-methoxy-4-(2-thiomorpholin-4-ylethylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methoxy-4-(2-thiomorpholin-4-ylethylamino)-1H-pyrimidin-6-one
PubChem CID136876834
Molecular FormulaC11H18N4O2S
Molecular Weight270.36 g/mol
Exact Mass270.12
IUPAC Name5-methoxy-4-(2-thiomorpholin-4-ylethylamino)-1H-pyrimidin-6-one
SMILESCOc1c(NCCN2CCSCC2)nc[nH]c1=O
InChIInChI=1S/C11H18N4O2S/c1-17-9-10(13-8-14-11(9)16)12-2-3-15-4-6-18-7-5-15/h8H,2-7H2,1H3,(H2,12,13,14,16)
InChIKeySMTXRTHLKOIWLR-UHFFFAOYSA-N
XLogP0.24
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-methoxy-4-(2-thiomorpholin-4-ylethylamino)-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-cyclopentyloxyethylamino)-5-methoxy-1H-pyrimidin-6-one
CID 137016441
5-bromo-4-(2-pyrrolidin-1-ylethylamino)-1H-pyrimidin-6-one
CID 136956545
4-(3-aminopentylamino)-5-methoxy-1H-pyrimidin-6-one
CID 137008774
4-[(3-amino-4-methoxybutyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 137011790
5-methoxy-4-(2-piperidin-1-ylpropylamino)-1H-pyrimidin-6-one
CID 136974402
4-[2-(azepan-1-yl)ethylamino]-5-bromo-1H-pyrimidin-6-one
CID 137015442
4-[(2-amino-2-ethylbutyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136978906
5-methoxy-4-[2-(1H-1,2,4-triazol-5-yl)ethylamino]-1H-pyrimidin-6-one
CID 136975974
5-methoxy-4-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]-1H-pyrimidin-6-one
CID 136975614
5-methoxy-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]-1H-pyrimidin-6-one
CID 136974398
3-methyl-N-(2-thiomorpholin-4-ylethyl)pyridin-2-amine
CID 106325916
4-(azetidin-3-ylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136978525

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-(2-thiomorpholin-4-ylethylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-methoxy-4-(2-thiomorpholin-4-ylethylamino)-1H-pyrimidin-6-one (CID 136876834) is 5-methoxy-4-(2-thiomorpholin-4-ylethylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methoxy-4-(2-thiomorpholin-4-ylethylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-methoxy-4-(2-thiomorpholin-4-ylethylamino)-1H-pyrimidin-6-one is COc1c(NCCN2CCSCC2)nc[nH]c1=O.
What is the InChIKey of 5-methoxy-4-(2-thiomorpholin-4-ylethylamino)-1H-pyrimidin-6-one?
The InChIKey is SMTXRTHLKOIWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2S/c1-17-9-10(13-8-14-11(9)16)12-2-3-15-4-6-18-7-5-15/h8H,2-7H2,1H3,(H2,12,13,14,16).
What are the key properties of 5-methoxy-4-(2-thiomorpholin-4-ylethylamino)-1H-pyrimidin-6-one?
5-methoxy-4-(2-thiomorpholin-4-ylethylamino)-1H-pyrimidin-6-one has a molecular weight of 270.36 g/mol, XLogP of 0.24, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-(2-thiomorpholin-4-ylethylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136876834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).