N-[4-(3-methoxypropoxy)phenyl]-4-thiomorpholin-4-ylpyrimidin-2-amine

C18H24N4O2S — CID 142745742

IUPACN-[4-(3-methoxypropoxy)phenyl]-4-thiomorpholin-4-ylpyrimidin-2-amine
SMILESCOCCCOc1ccc(Nc2nccc(N3CCSCC3)n2)cc1
InChIInChI=1S/C18H24N4O2S/c1-23-11-2-12-24-16-5-3-15(4-6-16)20-18-19-8-7-17(21-18)22-9-13-25-14-10-22/h3-8H,2,9-14H2,1H3,(H,19,20,21)
InChIKeyZNDQTZJANGQEIA-UHFFFAOYSA-N
MW360.48 g/mol
LogP3.19
Rot. Bonds8

About N-[4-(3-methoxypropoxy)phenyl]-4-thiomorpholin-4-ylpyrimidin-2-amine

N-[4-(3-methoxypropoxy)phenyl]-4-thiomorpholin-4-ylpyrimidin-2-amine (PubChem CID 142745742) has the molecular formula C18H24N4O2S and a molecular weight of 360.48 g/mol. Its IUPAC name is N-[4-(3-methoxypropoxy)phenyl]-4-thiomorpholin-4-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[4-(3-methoxypropoxy)phenyl]-4-thiomorpholin-4-ylpyrimidin-2-amine
PubChem CID142745742
Molecular FormulaC18H24N4O2S
Molecular Weight360.48 g/mol
Exact Mass360.16
IUPAC NameN-[4-(3-methoxypropoxy)phenyl]-4-thiomorpholin-4-ylpyrimidin-2-amine
SMILESCOCCCOc1ccc(Nc2nccc(N3CCSCC3)n2)cc1
InChIInChI=1S/C18H24N4O2S/c1-23-11-2-12-24-16-5-3-15(4-6-16)20-18-19-8-7-17(21-18)22-9-13-25-14-10-22/h3-8H,2,9-14H2,1H3,(H,19,20,21)
InChIKeyZNDQTZJANGQEIA-UHFFFAOYSA-N
XLogP3.19
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methoxypropoxy)phenyl]-4-thiomorpholin-4-ylpyrimidin-2-amine?
The IUPAC name of N-[4-(3-methoxypropoxy)phenyl]-4-thiomorpholin-4-ylpyrimidin-2-amine (CID 142745742) is N-[4-(3-methoxypropoxy)phenyl]-4-thiomorpholin-4-ylpyrimidin-2-amine.
What is the SMILES notation for N-[4-(3-methoxypropoxy)phenyl]-4-thiomorpholin-4-ylpyrimidin-2-amine?
The canonical SMILES for N-[4-(3-methoxypropoxy)phenyl]-4-thiomorpholin-4-ylpyrimidin-2-amine is COCCCOc1ccc(Nc2nccc(N3CCSCC3)n2)cc1.
What is the InChIKey of N-[4-(3-methoxypropoxy)phenyl]-4-thiomorpholin-4-ylpyrimidin-2-amine?
The InChIKey is ZNDQTZJANGQEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2S/c1-23-11-2-12-24-16-5-3-15(4-6-16)20-18-19-8-7-17(21-18)22-9-13-25-14-10-22/h3-8H,2,9-14H2,1H3,(H,19,20,21).
What are the key properties of N-[4-(3-methoxypropoxy)phenyl]-4-thiomorpholin-4-ylpyrimidin-2-amine?
N-[4-(3-methoxypropoxy)phenyl]-4-thiomorpholin-4-ylpyrimidin-2-amine has a molecular weight of 360.48 g/mol, XLogP of 3.19, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methoxypropoxy)phenyl]-4-thiomorpholin-4-ylpyrimidin-2-amine is sourced from PubChem (CID 142745742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).