2-ethyl-5-methyl-4-N-(2-methyl-3-methylsulfanylpropyl)-6-N-propylpyrimidine-4,6-diamine

C15H28N4S — CID 80985227

IUPAC2-ethyl-5-methyl-4-N-(2-methyl-3-methylsulfanylpropyl)-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1nc(CC)nc(NCC(C)CSC)c1C
InChIInChI=1S/C15H28N4S/c1-6-8-16-14-12(4)15(19-13(7-2)18-14)17-9-11(3)10-20-5/h11H,6-10H2,1-5H3,(H2,16,17,18,19)
InChIKeyDPJCIYDCQNUBRF-UHFFFAOYSA-N
MW296.48 g/mol
LogP3.58
Rot. Bonds9

About 2-ethyl-5-methyl-4-N-(2-methyl-3-methylsulfanylpropyl)-6-N-propylpyrimidine-4,6-diamine

2-ethyl-5-methyl-4-N-(2-methyl-3-methylsulfanylpropyl)-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80985227) has the molecular formula C15H28N4S and a molecular weight of 296.48 g/mol. Its IUPAC name is 2-ethyl-5-methyl-4-N-(2-methyl-3-methylsulfanylpropyl)-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-ethyl-5-methyl-4-N-(2-methyl-3-methylsulfanylpropyl)-6-N-propylpyrimidine-4,6-diamine
PubChem CID80985227
Molecular FormulaC15H28N4S
Molecular Weight296.48 g/mol
Exact Mass296.20
IUPAC Name2-ethyl-5-methyl-4-N-(2-methyl-3-methylsulfanylpropyl)-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1nc(CC)nc(NCC(C)CSC)c1C
InChIInChI=1S/C15H28N4S/c1-6-8-16-14-12(4)15(19-13(7-2)18-14)17-9-11(3)10-20-5/h11H,6-10H2,1-5H3,(H2,16,17,18,19)
InChIKeyDPJCIYDCQNUBRF-UHFFFAOYSA-N
XLogP3.58
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.48
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-ethyl-5-methyl-4-N-(2-methyl-3-methylsulfanylpropyl)-6-N-propylpyrimidine-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

3-[[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]amino]-2-methylpropan-1-ol
CID 80992450
4-N-[2-(dimethylamino)propyl]-2-ethyl-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80983119
4-N-(2,2-difluoroethyl)-2-ethyl-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 113304250
6-N,2-diethyl-5-methyl-4-N-propylpyrimidine-4,6-diamine
CID 80980725
1-[[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]amino]-4-methylpentan-2-ol
CID 107159660
5-ethyl-4-N-(2-methyl-3-methylsulfanylpropyl)-6-N-propylpyrimidine-4,6-diamine
CID 80839291
2-ethyl-6-N,5-dimethyl-4-N-propylpyrimidine-4,6-diamine
CID 80982045
4-N-butan-2-yl-2-ethyl-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80980971
5-methyl-4-N-(2-methyl-3-methylsulfanylpropyl)-2-N-propylpyrimidine-2,4-diamine
CID 80839556
2-ethyl-5-methyl-6-propan-2-yloxy-N-propylpyrimidin-4-amine
CID 80989070
2,5-dimethyl-4-N-(2-methylpropyl)-6-N-propylpyrimidine-4,6-diamine
CID 80769669
2-ethyl-5-methyl-4-N-(3-methylpentan-3-yl)-6-N-propylpyrimidine-4,6-diamine
CID 106332058

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-methyl-4-N-(2-methyl-3-methylsulfanylpropyl)-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 2-ethyl-5-methyl-4-N-(2-methyl-3-methylsulfanylpropyl)-6-N-propylpyrimidine-4,6-diamine (CID 80985227) is 2-ethyl-5-methyl-4-N-(2-methyl-3-methylsulfanylpropyl)-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-ethyl-5-methyl-4-N-(2-methyl-3-methylsulfanylpropyl)-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 2-ethyl-5-methyl-4-N-(2-methyl-3-methylsulfanylpropyl)-6-N-propylpyrimidine-4,6-diamine is CCCNc1nc(CC)nc(NCC(C)CSC)c1C.
What is the InChIKey of 2-ethyl-5-methyl-4-N-(2-methyl-3-methylsulfanylpropyl)-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is DPJCIYDCQNUBRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4S/c1-6-8-16-14-12(4)15(19-13(7-2)18-14)17-9-11(3)10-20-5/h11H,6-10H2,1-5H3,(H2,16,17,18,19).
What are the key properties of 2-ethyl-5-methyl-4-N-(2-methyl-3-methylsulfanylpropyl)-6-N-propylpyrimidine-4,6-diamine?
2-ethyl-5-methyl-4-N-(2-methyl-3-methylsulfanylpropyl)-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 296.48 g/mol, XLogP of 3.58, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-methyl-4-N-(2-methyl-3-methylsulfanylpropyl)-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80985227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).