6-N-ethyl-4-N-methyl-4-N-(3-methylcyclohexyl)-2-methylsulfanylpyrimidine-4,6-diamine

C15H26N4S — CID 80809346

IUPAC6-N-ethyl-4-N-methyl-4-N-(3-methylcyclohexyl)-2-methylsulfanylpyrimidine-4,6-diamine
SMILESCCNc1cc(N(C)C2CCCC(C)C2)nc(SC)n1
InChIInChI=1S/C15H26N4S/c1-5-16-13-10-14(18-15(17-13)20-4)19(3)12-8-6-7-11(2)9-12/h10-12H,5-9H2,1-4H3,(H,16,17,18)
InChIKeyAJZUAPGHPWWUMT-UHFFFAOYSA-N
MW294.47 g/mol
LogP3.65
Rot. Bonds5

About 6-N-ethyl-4-N-methyl-4-N-(3-methylcyclohexyl)-2-methylsulfanylpyrimidine-4,6-diamine

6-N-ethyl-4-N-methyl-4-N-(3-methylcyclohexyl)-2-methylsulfanylpyrimidine-4,6-diamine (PubChem CID 80809346) has the molecular formula C15H26N4S and a molecular weight of 294.47 g/mol. Its IUPAC name is 6-N-ethyl-4-N-methyl-4-N-(3-methylcyclohexyl)-2-methylsulfanylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-4-N-methyl-4-N-(3-methylcyclohexyl)-2-methylsulfanylpyrimidine-4,6-diamine
PubChem CID80809346
Molecular FormulaC15H26N4S
Molecular Weight294.47 g/mol
Exact Mass294.19
IUPAC Name6-N-ethyl-4-N-methyl-4-N-(3-methylcyclohexyl)-2-methylsulfanylpyrimidine-4,6-diamine
SMILESCCNc1cc(N(C)C2CCCC(C)C2)nc(SC)n1
InChIInChI=1S/C15H26N4S/c1-5-16-13-10-14(18-15(17-13)20-4)19(3)12-8-6-7-11(2)9-12/h10-12H,5-9H2,1-4H3,(H,16,17,18)
InChIKeyAJZUAPGHPWWUMT-UHFFFAOYSA-N
XLogP3.65
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.47
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-4-N-methyl-4-N-(3-methylcyclohexyl)-2-methylsulfanylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-4-N-methyl-4-N-(3-methylcyclohexyl)-2-methylsulfanylpyrimidine-4,6-diamine (CID 80809346) is 6-N-ethyl-4-N-methyl-4-N-(3-methylcyclohexyl)-2-methylsulfanylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-4-N-methyl-4-N-(3-methylcyclohexyl)-2-methylsulfanylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-4-N-methyl-4-N-(3-methylcyclohexyl)-2-methylsulfanylpyrimidine-4,6-diamine is CCNc1cc(N(C)C2CCCC(C)C2)nc(SC)n1.
What is the InChIKey of 6-N-ethyl-4-N-methyl-4-N-(3-methylcyclohexyl)-2-methylsulfanylpyrimidine-4,6-diamine?
The InChIKey is AJZUAPGHPWWUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4S/c1-5-16-13-10-14(18-15(17-13)20-4)19(3)12-8-6-7-11(2)9-12/h10-12H,5-9H2,1-4H3,(H,16,17,18).
What are the key properties of 6-N-ethyl-4-N-methyl-4-N-(3-methylcyclohexyl)-2-methylsulfanylpyrimidine-4,6-diamine?
6-N-ethyl-4-N-methyl-4-N-(3-methylcyclohexyl)-2-methylsulfanylpyrimidine-4,6-diamine has a molecular weight of 294.47 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-4-N-methyl-4-N-(3-methylcyclohexyl)-2-methylsulfanylpyrimidine-4,6-diamine is sourced from PubChem (CID 80809346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).