6-(2-methoxyethylsulfanyl)-N-methylpyrimidin-4-amine

C8H13N3OS — CID 80884045

IUPAC6-(2-methoxyethylsulfanyl)-N-methylpyrimidin-4-amine
SMILESCNc1cc(SCCOC)ncn1
InChIInChI=1S/C8H13N3OS/c1-9-7-5-8(11-6-10-7)13-4-3-12-2/h5-6H,3-4H2,1-2H3,(H,9,10,11)
InChIKeyLBEMTHGNPKULKG-UHFFFAOYSA-N
MW199.28 g/mol
LogP1.26
Rot. Bonds5

About 6-(2-methoxyethylsulfanyl)-N-methylpyrimidin-4-amine

6-(2-methoxyethylsulfanyl)-N-methylpyrimidin-4-amine (PubChem CID 80884045) has the molecular formula C8H13N3OS and a molecular weight of 199.28 g/mol. Its IUPAC name is 6-(2-methoxyethylsulfanyl)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-methoxyethylsulfanyl)-N-methylpyrimidin-4-amine
PubChem CID80884045
Molecular FormulaC8H13N3OS
Molecular Weight199.28 g/mol
Exact Mass199.08
IUPAC Name6-(2-methoxyethylsulfanyl)-N-methylpyrimidin-4-amine
SMILESCNc1cc(SCCOC)ncn1
InChIInChI=1S/C8H13N3OS/c1-9-7-5-8(11-6-10-7)13-4-3-12-2/h5-6H,3-4H2,1-2H3,(H,9,10,11)
InChIKeyLBEMTHGNPKULKG-UHFFFAOYSA-N
XLogP1.26
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[6-(methylamino)pyrimidin-4-yl]sulfanylpropan-1-ol
CID 80891464
4-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-6-N-methylpyrimidine-4,6-diamine
CID 114113415
2-[6-(propylamino)pyrimidin-4-yl]sulfanylethanol
CID 80885147
2-tert-butyl-6-(3-methoxypropylsulfanyl)-N-methylpyrimidin-4-amine
CID 80964211
(6-butylsulfanylpyrimidin-4-yl)hydrazine
CID 80921324
6-[4-(2-methoxyethoxy)phenyl]-N-methylpyrimidin-4-amine
CID 98016972
N-(4-methoxybutan-2-yl)-6-methylsulfanylpyrimidin-4-amine
CID 106972875
(6-pentylsulfanylpyrimidin-4-yl)hydrazine
CID 107766206
4-N-(1-methoxy-3-methylbutan-2-yl)-6-N-methylpyrimidine-4,6-diamine
CID 80841869
3-[6-(methylamino)pyrimidin-4-yl]sulfanylbutan-1-ol
CID 80891111
N-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-4-amine
CID 80886006
1-methoxy-3-[[6-(methylamino)pyrimidin-4-yl]amino]propan-2-ol
CID 80834963

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyethylsulfanyl)-N-methylpyrimidin-4-amine?
The IUPAC name of 6-(2-methoxyethylsulfanyl)-N-methylpyrimidin-4-amine (CID 80884045) is 6-(2-methoxyethylsulfanyl)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(2-methoxyethylsulfanyl)-N-methylpyrimidin-4-amine?
The canonical SMILES for 6-(2-methoxyethylsulfanyl)-N-methylpyrimidin-4-amine is CNc1cc(SCCOC)ncn1.
What is the InChIKey of 6-(2-methoxyethylsulfanyl)-N-methylpyrimidin-4-amine?
The InChIKey is LBEMTHGNPKULKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3OS/c1-9-7-5-8(11-6-10-7)13-4-3-12-2/h5-6H,3-4H2,1-2H3,(H,9,10,11).
What are the key properties of 6-(2-methoxyethylsulfanyl)-N-methylpyrimidin-4-amine?
6-(2-methoxyethylsulfanyl)-N-methylpyrimidin-4-amine has a molecular weight of 199.28 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyethylsulfanyl)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 80884045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).