6-N-ethyl-4-N-(2-methoxyethyl)-4-N-(2-methylpropyl)-2-methylsulfanylpyrimidine-4,6-diamine

C14H26N4OS — CID 80804755

IUPAC6-N-ethyl-4-N-(2-methoxyethyl)-4-N-(2-methylpropyl)-2-methylsulfanylpyrimidine-4,6-diamine
SMILESCCNc1cc(N(CCOC)CC(C)C)nc(SC)n1
InChIInChI=1S/C14H26N4OS/c1-6-15-12-9-13(17-14(16-12)20-5)18(7-8-19-4)10-11(2)3/h9,11H,6-8,10H2,1-5H3,(H,15,16,17)
InChIKeyIMJNAJFRMDEFJA-UHFFFAOYSA-N
MW298.46 g/mol
LogP2.74
Rot. Bonds9

About 6-N-ethyl-4-N-(2-methoxyethyl)-4-N-(2-methylpropyl)-2-methylsulfanylpyrimidine-4,6-diamine

6-N-ethyl-4-N-(2-methoxyethyl)-4-N-(2-methylpropyl)-2-methylsulfanylpyrimidine-4,6-diamine (PubChem CID 80804755) has the molecular formula C14H26N4OS and a molecular weight of 298.46 g/mol. Its IUPAC name is 6-N-ethyl-4-N-(2-methoxyethyl)-4-N-(2-methylpropyl)-2-methylsulfanylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-4-N-(2-methoxyethyl)-4-N-(2-methylpropyl)-2-methylsulfanylpyrimidine-4,6-diamine
PubChem CID80804755
Molecular FormulaC14H26N4OS
Molecular Weight298.46 g/mol
Exact Mass298.18
IUPAC Name6-N-ethyl-4-N-(2-methoxyethyl)-4-N-(2-methylpropyl)-2-methylsulfanylpyrimidine-4,6-diamine
SMILESCCNc1cc(N(CCOC)CC(C)C)nc(SC)n1
InChIInChI=1S/C14H26N4OS/c1-6-15-12-9-13(17-14(16-12)20-5)18(7-8-19-4)10-11(2)3/h9,11H,6-8,10H2,1-5H3,(H,15,16,17)
InChIKeyIMJNAJFRMDEFJA-UHFFFAOYSA-N
XLogP2.74
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.46
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-N-ethyl-4-N-(2-methoxyethyl)-2-methylsulfanyl-4-N-pentan-3-ylpyrimidine-4,6-diamine
CID 80787308
2-ethyl-4-N-(2-methoxyethyl)-6-N-methyl-4-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 80935014
4-N-butan-2-yl-6-N-ethyl-4-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80774336
2-[cyanomethyl-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]acetonitrile
CID 80753887
6-N-ethyl-4-N,4-N-bis(2-methoxyethyl)-2-propylpyrimidine-4,6-diamine
CID 80941613
4-N-(2-methoxyethyl)-4-N,6-N-dimethyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80795314
3-[2-methoxyethyl-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]propanenitrile
CID 80829806
6-hydrazinyl-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-2-methylsulfanylpyrimidin-4-amine
CID 80901446
2-N-ethyl-4-N-(2-methoxyethyl)-4-N-(2-methylpropyl)pyridine-2,4-diamine
CID 113367660
6-N-ethyl-4-N-(1-methoxy-3-methylbutan-2-yl)-2-methylsulfanylpyrimidine-4,6-diamine
CID 80841763
4-N-(1-methoxypropan-2-yl)-4-N-methyl-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine
CID 80809385
4-N-cyclopropyl-6-N-ethyl-4-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80775647

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-4-N-(2-methoxyethyl)-4-N-(2-methylpropyl)-2-methylsulfanylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-4-N-(2-methoxyethyl)-4-N-(2-methylpropyl)-2-methylsulfanylpyrimidine-4,6-diamine (CID 80804755) is 6-N-ethyl-4-N-(2-methoxyethyl)-4-N-(2-methylpropyl)-2-methylsulfanylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-4-N-(2-methoxyethyl)-4-N-(2-methylpropyl)-2-methylsulfanylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-4-N-(2-methoxyethyl)-4-N-(2-methylpropyl)-2-methylsulfanylpyrimidine-4,6-diamine is CCNc1cc(N(CCOC)CC(C)C)nc(SC)n1.
What is the InChIKey of 6-N-ethyl-4-N-(2-methoxyethyl)-4-N-(2-methylpropyl)-2-methylsulfanylpyrimidine-4,6-diamine?
The InChIKey is IMJNAJFRMDEFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4OS/c1-6-15-12-9-13(17-14(16-12)20-5)18(7-8-19-4)10-11(2)3/h9,11H,6-8,10H2,1-5H3,(H,15,16,17).
What are the key properties of 6-N-ethyl-4-N-(2-methoxyethyl)-4-N-(2-methylpropyl)-2-methylsulfanylpyrimidine-4,6-diamine?
6-N-ethyl-4-N-(2-methoxyethyl)-4-N-(2-methylpropyl)-2-methylsulfanylpyrimidine-4,6-diamine has a molecular weight of 298.46 g/mol, XLogP of 2.74, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-4-N-(2-methoxyethyl)-4-N-(2-methylpropyl)-2-methylsulfanylpyrimidine-4,6-diamine is sourced from PubChem (CID 80804755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).