4-N-ethyl-6-N-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine

C15H21N5S — CID 80838856

IUPAC4-N-ethyl-6-N-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine
SMILESCCN(Cc1cccc(C)n1)c1cc(NC)nc(SC)n1
InChIInChI=1S/C15H21N5S/c1-5-20(10-12-8-6-7-11(2)17-12)14-9-13(16-3)18-15(19-14)21-4/h6-9H,5,10H2,1-4H3,(H,16,18,19)
InChIKeyHANVTFBPJOMZDN-UHFFFAOYSA-N
MW303.44 g/mol
LogP2.97
Rot. Bonds6

About 4-N-ethyl-6-N-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine

4-N-ethyl-6-N-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine (PubChem CID 80838856) has the molecular formula C15H21N5S and a molecular weight of 303.44 g/mol. Its IUPAC name is 4-N-ethyl-6-N-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-ethyl-6-N-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine
PubChem CID80838856
Molecular FormulaC15H21N5S
Molecular Weight303.44 g/mol
Exact Mass303.15
IUPAC Name4-N-ethyl-6-N-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine
SMILESCCN(Cc1cccc(C)n1)c1cc(NC)nc(SC)n1
InChIInChI=1S/C15H21N5S/c1-5-20(10-12-8-6-7-11(2)17-12)14-9-13(16-3)18-15(19-14)21-4/h6-9H,5,10H2,1-4H3,(H,16,18,19)
InChIKeyHANVTFBPJOMZDN-UHFFFAOYSA-N
XLogP2.97
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.44
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-N-ethyl-6-N-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N-ethyl-4-N-[(6-methyl-2-pyridinyl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine
CID 80851849
N-ethyl-6-hydrazinyl-N-[(6-methyl-2-pyridinyl)methyl]pyrimidin-4-amine
CID 80926425
N-ethyl-N-(furan-2-ylmethyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
CID 80896307
2-N-ethyl-2-N-[(6-methyl-2-pyridinyl)methyl]pyrazine-2,5-diamine
CID 80652405
2-N,6-N-diethyl-2-N-[(6-methyl-2-pyridinyl)methyl]pyrazine-2,6-diamine
CID 80852067
6-chloro-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]-2-propan-2-ylpyrimidin-4-amine
CID 80947381
4-N-ethyl-5-fluoro-2-N-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine
CID 80851697
N-ethyl-6-hydrazinyl-N-(3-methylphenyl)-2-methylsulfanylpyrimidin-4-amine
CID 80899281
4-N-[(3-bromophenyl)methyl]-4-N,6-N-dimethyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80793975
4-N-[(2-bromophenyl)methyl]-4-N,6-N-dimethyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80794329
4-N,6-N-dimethyl-4-N-[(5-methylfuran-2-yl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine
CID 80781028
2-[(N-ethyl-3-fluoroanilino)methyl]-N,6-dimethylpyrimidin-4-amine
CID 80657942

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-6-N-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-ethyl-6-N-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine (CID 80838856) is 4-N-ethyl-6-N-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-ethyl-6-N-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-ethyl-6-N-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine is CCN(Cc1cccc(C)n1)c1cc(NC)nc(SC)n1.
What is the InChIKey of 4-N-ethyl-6-N-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine?
The InChIKey is HANVTFBPJOMZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5S/c1-5-20(10-12-8-6-7-11(2)17-12)14-9-13(16-3)18-15(19-14)21-4/h6-9H,5,10H2,1-4H3,(H,16,18,19).
What are the key properties of 4-N-ethyl-6-N-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine?
4-N-ethyl-6-N-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine has a molecular weight of 303.44 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-6-N-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine is sourced from PubChem (CID 80838856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).