4-N,4-N-diethyl-6-(methoxymethylsulfanyl)pyrimidine-4,5-diamine

C10H18N4OS — CID 54099224

IUPAC4-N,4-N-diethyl-6-(methoxymethylsulfanyl)pyrimidine-4,5-diamine
SMILESCCN(CC)c1ncnc(SCOC)c1N
InChIInChI=1S/C10H18N4OS/c1-4-14(5-2)9-8(11)10(13-6-12-9)16-7-15-3/h6H,4-5,7,11H2,1-3H3
InChIKeyMZJFXIJFTQZIPC-UHFFFAOYSA-N
MW242.35 g/mol
LogP1.60
Rot. Bonds6

About 4-N,4-N-diethyl-6-(methoxymethylsulfanyl)pyrimidine-4,5-diamine

4-N,4-N-diethyl-6-(methoxymethylsulfanyl)pyrimidine-4,5-diamine (PubChem CID 54099224) has the molecular formula C10H18N4OS and a molecular weight of 242.35 g/mol. Its IUPAC name is 4-N,4-N-diethyl-6-(methoxymethylsulfanyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N,4-N-diethyl-6-(methoxymethylsulfanyl)pyrimidine-4,5-diamine
PubChem CID54099224
Molecular FormulaC10H18N4OS
Molecular Weight242.35 g/mol
Exact Mass242.12
IUPAC Name4-N,4-N-diethyl-6-(methoxymethylsulfanyl)pyrimidine-4,5-diamine
SMILESCCN(CC)c1ncnc(SCOC)c1N
InChIInChI=1S/C10H18N4OS/c1-4-14(5-2)9-8(11)10(13-6-12-9)16-7-15-3/h6H,4-5,7,11H2,1-3H3
InChIKeyMZJFXIJFTQZIPC-UHFFFAOYSA-N
XLogP1.60
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-diethyl-6-(methoxymethylsulfanyl)pyrimidine-4,5-diamine?
The IUPAC name of 4-N,4-N-diethyl-6-(methoxymethylsulfanyl)pyrimidine-4,5-diamine (CID 54099224) is 4-N,4-N-diethyl-6-(methoxymethylsulfanyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 4-N,4-N-diethyl-6-(methoxymethylsulfanyl)pyrimidine-4,5-diamine?
The canonical SMILES for 4-N,4-N-diethyl-6-(methoxymethylsulfanyl)pyrimidine-4,5-diamine is CCN(CC)c1ncnc(SCOC)c1N.
What is the InChIKey of 4-N,4-N-diethyl-6-(methoxymethylsulfanyl)pyrimidine-4,5-diamine?
The InChIKey is MZJFXIJFTQZIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4OS/c1-4-14(5-2)9-8(11)10(13-6-12-9)16-7-15-3/h6H,4-5,7,11H2,1-3H3.
What are the key properties of 4-N,4-N-diethyl-6-(methoxymethylsulfanyl)pyrimidine-4,5-diamine?
4-N,4-N-diethyl-6-(methoxymethylsulfanyl)pyrimidine-4,5-diamine has a molecular weight of 242.35 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-diethyl-6-(methoxymethylsulfanyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 54099224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).