(5-chloro-2-methylsulfanylpyrimidin-4-yl)-[2-[(2-chloro-3-pyridinyl)oxymethyl]morpholin-4-yl]methanone

C16H16Cl2N4O3S — CID 4988485

IUPAC(5-chloro-2-methylsulfanylpyrimidin-4-yl)-[2-[(2-chloro-3-pyridinyl)oxymethyl]morpholin-4-yl]methanone
SMILESCSc1ncc(Cl)c(C(=O)N2CCOC(COc3cccnc3Cl)C2)n1
InChIInChI=1S/C16H16Cl2N4O3S/c1-26-16-20-7-11(17)13(21-16)15(23)22-5-6-24-10(8-22)9-25-12-3-2-4-19-14(12)18/h2-4,7,10H,5-6,8-9H2,1H3
InChIKeyASQRIWGQHFAETJ-UHFFFAOYSA-N
MW415.30 g/mol
LogP2.82
Rot. Bonds5

About (5-chloro-2-methylsulfanylpyrimidin-4-yl)-[2-[(2-chloro-3-pyridinyl)oxymethyl]morpholin-4-yl]methanone

(5-chloro-2-methylsulfanylpyrimidin-4-yl)-[2-[(2-chloro-3-pyridinyl)oxymethyl]morpholin-4-yl]methanone (PubChem CID 4988485) has the molecular formula C16H16Cl2N4O3S and a molecular weight of 415.30 g/mol. Its IUPAC name is (5-chloro-2-methylsulfanylpyrimidin-4-yl)-[2-[(2-chloro-3-pyridinyl)oxymethyl]morpholin-4-yl]methanone.

Molecular Properties

Compound Name(5-chloro-2-methylsulfanylpyrimidin-4-yl)-[2-[(2-chloro-3-pyridinyl)oxymethyl]morpholin-4-yl]methanone
PubChem CID4988485
Molecular FormulaC16H16Cl2N4O3S
Molecular Weight415.30 g/mol
Exact Mass414.03
IUPAC Name(5-chloro-2-methylsulfanylpyrimidin-4-yl)-[2-[(2-chloro-3-pyridinyl)oxymethyl]morpholin-4-yl]methanone
SMILESCSc1ncc(Cl)c(C(=O)N2CCOC(COc3cccnc3Cl)C2)n1
InChIInChI=1S/C16H16Cl2N4O3S/c1-26-16-20-7-11(17)13(21-16)15(23)22-5-6-24-10(8-22)9-25-12-3-2-4-19-14(12)18/h2-4,7,10H,5-6,8-9H2,1H3
InChIKeyASQRIWGQHFAETJ-UHFFFAOYSA-N
XLogP2.82
TPSA77.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.30
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze (5-chloro-2-methylsulfanylpyrimidin-4-yl)-[2-[(2-chloro-3-pyridinyl)oxymethyl]morpholin-4-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

(2-chloro-3-pyridinyl)-[(2S)-2-[(2-methoxyphenoxy)methyl]morpholin-4-yl]methanone
CID 92758229
1-[2-[(2-chloro-3-pyridinyl)oxymethyl]morpholin-4-yl]-3-(2,4-dimethoxypyrimidin-5-yl)prop-2-en-1-one
CID 3751246
2-[(2-chloro-3-pyridinyl)oxymethyl]-N-(4,6-dimethyl-2-pyridinyl)morpholine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 87680787
(2E)-1-[2-[(2-chloro-3-pyridinyl)oxymethyl]morpholin-4-yl]-2-(furan-2-yl)-2-methoxyiminoethanone
CID 74227391
N-(4-chloro-2,5-dimethoxyphenyl)-2-[(2-chloro-3-pyridinyl)oxymethyl]morpholine-4-carbothioamide
CID 3834529
1-[2-[(2-chloro-3-pyridinyl)oxymethyl]morpholin-4-yl]-2-(5-phenyltetrazol-2-yl)ethanone
CID 3402504
4-[[4-(2-fluoropyridine-3-carbonyl)morpholin-2-yl]methoxy]-2,3-dihydroinden-1-one
CID 5103890
2-[(2-chloro-3-pyridinyl)oxymethyl]-N-[(2,4-dichlorophenyl)methyl]morpholine-4-carbothioamide
CID 3765705
(2-fluoro-3-pyridinyl)-[2-[(6-methyl-3-pyridinyl)oxymethyl]morpholin-4-yl]methanone
CID 5016333
(5-chloro-2-methylsulfanylpyrimidin-4-yl)-(4-ethylpiperazin-1-yl)methanone
CID 6463586
2-[(2-chlorophenoxy)methyl]-N-(6-methyl-2-pyridinyl)morpholine-4-carboxamide
CID 69073211
(6-amino-3-chloro-2-pyridinyl)-(2-ethylmorpholin-4-yl)methanone
CID 62155508

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methylsulfanylpyrimidin-4-yl)-[2-[(2-chloro-3-pyridinyl)oxymethyl]morpholin-4-yl]methanone?
The IUPAC name of (5-chloro-2-methylsulfanylpyrimidin-4-yl)-[2-[(2-chloro-3-pyridinyl)oxymethyl]morpholin-4-yl]methanone (CID 4988485) is (5-chloro-2-methylsulfanylpyrimidin-4-yl)-[2-[(2-chloro-3-pyridinyl)oxymethyl]morpholin-4-yl]methanone.
What is the SMILES notation for (5-chloro-2-methylsulfanylpyrimidin-4-yl)-[2-[(2-chloro-3-pyridinyl)oxymethyl]morpholin-4-yl]methanone?
The canonical SMILES for (5-chloro-2-methylsulfanylpyrimidin-4-yl)-[2-[(2-chloro-3-pyridinyl)oxymethyl]morpholin-4-yl]methanone is CSc1ncc(Cl)c(C(=O)N2CCOC(COc3cccnc3Cl)C2)n1.
What is the InChIKey of (5-chloro-2-methylsulfanylpyrimidin-4-yl)-[2-[(2-chloro-3-pyridinyl)oxymethyl]morpholin-4-yl]methanone?
The InChIKey is ASQRIWGQHFAETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N4O3S/c1-26-16-20-7-11(17)13(21-16)15(23)22-5-6-24-10(8-22)9-25-12-3-2-4-19-14(12)18/h2-4,7,10H,5-6,8-9H2,1H3.
What are the key properties of (5-chloro-2-methylsulfanylpyrimidin-4-yl)-[2-[(2-chloro-3-pyridinyl)oxymethyl]morpholin-4-yl]methanone?
(5-chloro-2-methylsulfanylpyrimidin-4-yl)-[2-[(2-chloro-3-pyridinyl)oxymethyl]morpholin-4-yl]methanone has a molecular weight of 415.30 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methylsulfanylpyrimidin-4-yl)-[2-[(2-chloro-3-pyridinyl)oxymethyl]morpholin-4-yl]methanone is sourced from PubChem (CID 4988485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).