4-N-[2-(2-methoxyethoxy)ethyl]-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine

C13H24N4O2S — CID 80813692

IUPAC4-N-[2-(2-methoxyethoxy)ethyl]-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(NCCOCCOC)nc(SC)n1
InChIInChI=1S/C13H24N4O2S/c1-4-5-14-11-10-12(17-13(16-11)20-3)15-6-7-19-9-8-18-2/h10H,4-9H2,1-3H3,(H2,14,15,16,17)
InChIKeyQPYJYBWGKAYPNM-UHFFFAOYSA-N
MW300.43 g/mol
LogP2.10
Rot. Bonds11

About 4-N-[2-(2-methoxyethoxy)ethyl]-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine

4-N-[2-(2-methoxyethoxy)ethyl]-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80813692) has the molecular formula C13H24N4O2S and a molecular weight of 300.43 g/mol. Its IUPAC name is 4-N-[2-(2-methoxyethoxy)ethyl]-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[2-(2-methoxyethoxy)ethyl]-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine
PubChem CID80813692
Molecular FormulaC13H24N4O2S
Molecular Weight300.43 g/mol
Exact Mass300.16
IUPAC Name4-N-[2-(2-methoxyethoxy)ethyl]-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(NCCOCCOC)nc(SC)n1
InChIInChI=1S/C13H24N4O2S/c1-4-5-14-11-10-12(17-13(16-11)20-3)15-6-7-19-9-8-18-2/h10H,4-9H2,1-3H3,(H2,14,15,16,17)
InChIKeyQPYJYBWGKAYPNM-UHFFFAOYSA-N
XLogP2.10
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

6-N-methyl-2-methylsulfanyl-4-N-propylpyrimidine-4,6-diamine
CID 80765356
4-N-[2-(2-methoxyethoxy)ethyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80814127
2-methylsulfanyl-4-N-(2-methylsulfanylethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80838992
4-methoxy-3-[[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 106163156
4-N-(1-methoxypropan-2-yl)-4-N-methyl-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine
CID 80809385
2-ethyl-6-hydrazinyl-N-[2-(2-methoxyethoxy)ethyl]pyrimidin-4-amine
CID 80938072
2-methylsulfanyl-4-N-(2-methylsulfinylethyl)-6-N-propylpyrimidine-4,6-diamine
CID 113480695
2-cyclopropyl-6-N-ethyl-4-N-[2-(2-methoxyethoxy)ethyl]pyrimidine-4,6-diamine
CID 80957729
4-N,4-N-dimethyl-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine
CID 80765397
6-N-ethyl-4-N-[2-(2-methoxyethoxy)ethyl]pyrimidine-4,6-diamine
CID 80813222
2-[2-(2-methoxyethoxy)ethyl]-6-(methoxymethyl)-N-propylpyrimidin-4-amine
CID 102928862
5-[[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]pentan-2-ol
CID 106138292

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(2-methoxyethoxy)ethyl]-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[2-(2-methoxyethoxy)ethyl]-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine (CID 80813692) is 4-N-[2-(2-methoxyethoxy)ethyl]-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[2-(2-methoxyethoxy)ethyl]-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[2-(2-methoxyethoxy)ethyl]-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine is CCCNc1cc(NCCOCCOC)nc(SC)n1.
What is the InChIKey of 4-N-[2-(2-methoxyethoxy)ethyl]-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is QPYJYBWGKAYPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2S/c1-4-5-14-11-10-12(17-13(16-11)20-3)15-6-7-19-9-8-18-2/h10H,4-9H2,1-3H3,(H2,14,15,16,17).
What are the key properties of 4-N-[2-(2-methoxyethoxy)ethyl]-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine?
4-N-[2-(2-methoxyethoxy)ethyl]-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 300.43 g/mol, XLogP of 2.10, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(2-methoxyethoxy)ethyl]-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80813692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).