N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-6-morpholin-4-ylpyrimidin-4-amine

C14H20N6OS — CID 50967432

IUPACN-[2-(1-methylimidazol-2-yl)sulfanylethyl]-6-morpholin-4-ylpyrimidin-4-amine
SMILESCn1ccnc1SCCNc1cc(N2CCOCC2)ncn1
InChIInChI=1S/C14H20N6OS/c1-19-4-2-16-14(19)22-9-3-15-12-10-13(18-11-17-12)20-5-7-21-8-6-20/h2,4,10-11H,3,5-9H2,1H3,(H,15,17,18)
InChIKeyHYQDMSPKCKKODA-UHFFFAOYSA-N
MW320.42 g/mol
LogP1.25
Rot. Bonds6

About N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-6-morpholin-4-ylpyrimidin-4-amine

N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-6-morpholin-4-ylpyrimidin-4-amine (PubChem CID 50967432) has the molecular formula C14H20N6OS and a molecular weight of 320.42 g/mol. Its IUPAC name is N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-6-morpholin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(1-methylimidazol-2-yl)sulfanylethyl]-6-morpholin-4-ylpyrimidin-4-amine
PubChem CID50967432
Molecular FormulaC14H20N6OS
Molecular Weight320.42 g/mol
Exact Mass320.14
IUPAC NameN-[2-(1-methylimidazol-2-yl)sulfanylethyl]-6-morpholin-4-ylpyrimidin-4-amine
SMILESCn1ccnc1SCCNc1cc(N2CCOCC2)ncn1
InChIInChI=1S/C14H20N6OS/c1-19-4-2-16-14(19)22-9-3-15-12-10-13(18-11-17-12)20-5-7-21-8-6-20/h2,4,10-11H,3,5-9H2,1H3,(H,15,17,18)
InChIKeyHYQDMSPKCKKODA-UHFFFAOYSA-N
XLogP1.25
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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-[2-(1-methylimidazol-2-yl)sulfanylethyl]-6-morpholin-4-ylpyrimidin-4-amine?
The IUPAC name of N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-6-morpholin-4-ylpyrimidin-4-amine (CID 50967432) is N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-6-morpholin-4-ylpyrimidin-4-amine.
What is the SMILES notation for N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-6-morpholin-4-ylpyrimidin-4-amine?
The canonical SMILES for N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-6-morpholin-4-ylpyrimidin-4-amine is Cn1ccnc1SCCNc1cc(N2CCOCC2)ncn1.
What is the InChIKey of N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-6-morpholin-4-ylpyrimidin-4-amine?
The InChIKey is HYQDMSPKCKKODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6OS/c1-19-4-2-16-14(19)22-9-3-15-12-10-13(18-11-17-12)20-5-7-21-8-6-20/h2,4,10-11H,3,5-9H2,1H3,(H,15,17,18).
What are the key properties of N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-6-morpholin-4-ylpyrimidin-4-amine?
N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-6-morpholin-4-ylpyrimidin-4-amine has a molecular weight of 320.42 g/mol, XLogP of 1.25, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-6-morpholin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 50967432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).