4-N-ethyl-4-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine

C8H14N4S — CID 80775599

IUPAC4-N-ethyl-4-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
SMILESCCN(C)c1cc(N)nc(SC)n1
InChIInChI=1S/C8H14N4S/c1-4-12(2)7-5-6(9)10-8(11-7)13-3/h5H,4H2,1-3H3,(H2,9,10,11)
InChIKeyIDCXPEKVMQANIC-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.24
Rot. Bonds3

About 4-N-ethyl-4-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine

4-N-ethyl-4-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine (PubChem CID 80775599) has the molecular formula C8H14N4S and a molecular weight of 198.29 g/mol. Its IUPAC name is 4-N-ethyl-4-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-ethyl-4-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
PubChem CID80775599
Molecular FormulaC8H14N4S
Molecular Weight198.29 g/mol
Exact Mass198.09
IUPAC Name4-N-ethyl-4-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
SMILESCCN(C)c1cc(N)nc(SC)n1
InChIInChI=1S/C8H14N4S/c1-4-12(2)7-5-6(9)10-8(11-7)13-3/h5H,4H2,1-3H3,(H2,9,10,11)
InChIKeyIDCXPEKVMQANIC-UHFFFAOYSA-N
XLogP1.24
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-4-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-ethyl-4-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine (CID 80775599) is 4-N-ethyl-4-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-ethyl-4-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-ethyl-4-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine is CCN(C)c1cc(N)nc(SC)n1.
What is the InChIKey of 4-N-ethyl-4-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine?
The InChIKey is IDCXPEKVMQANIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4S/c1-4-12(2)7-5-6(9)10-8(11-7)13-3/h5H,4H2,1-3H3,(H2,9,10,11).
What are the key properties of 4-N-ethyl-4-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine?
4-N-ethyl-4-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine has a molecular weight of 198.29 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-4-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine is sourced from PubChem (CID 80775599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).