2-N-ethyl-4-N-(2-methyl-3-methylsulfanylpropyl)pyrimidine-2,4-diamine

C11H20N4S — CID 80838892

IUPAC2-N-ethyl-4-N-(2-methyl-3-methylsulfanylpropyl)pyrimidine-2,4-diamine
SMILESCCNc1nccc(NCC(C)CSC)n1
InChIInChI=1S/C11H20N4S/c1-4-12-11-13-6-5-10(15-11)14-7-9(2)8-16-3/h5-6,9H,4,7-8H2,1-3H3,(H2,12,13,14,15)
InChIKeyGYZDWAMSUCAFMJ-UHFFFAOYSA-N
MW240.38 g/mol
LogP2.32
Rot. Bonds7

About 2-N-ethyl-4-N-(2-methyl-3-methylsulfanylpropyl)pyrimidine-2,4-diamine

2-N-ethyl-4-N-(2-methyl-3-methylsulfanylpropyl)pyrimidine-2,4-diamine (PubChem CID 80838892) has the molecular formula C11H20N4S and a molecular weight of 240.38 g/mol. Its IUPAC name is 2-N-ethyl-4-N-(2-methyl-3-methylsulfanylpropyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-4-N-(2-methyl-3-methylsulfanylpropyl)pyrimidine-2,4-diamine
PubChem CID80838892
Molecular FormulaC11H20N4S
Molecular Weight240.38 g/mol
Exact Mass240.14
IUPAC Name2-N-ethyl-4-N-(2-methyl-3-methylsulfanylpropyl)pyrimidine-2,4-diamine
SMILESCCNc1nccc(NCC(C)CSC)n1
InChIInChI=1S/C11H20N4S/c1-4-12-11-13-6-5-10(15-11)14-7-9(2)8-16-3/h5-6,9H,4,7-8H2,1-3H3,(H2,12,13,14,15)
InChIKeyGYZDWAMSUCAFMJ-UHFFFAOYSA-N
XLogP2.32
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.38
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[2-(ethylamino)pyrimidin-4-yl]amino]propan-2-ol
CID 80779056
2-N-ethyl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 80765362
5-chloro-2-N-ethyl-4-N-(2-methyl-3-methylsulfanylpropyl)pyrimidine-2,4-diamine
CID 80838637
N-ethyl-4-propan-2-ylsulfanylpyrimidin-2-amine
CID 80886558
2-N-methyl-6-N-(2-methyl-3-methylsulfanylpropyl)pyridine-2,6-diamine
CID 80839793
2-N-ethyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 80761602
2-N-ethyl-4-N-octylpyrimidine-2,4-diamine
CID 113336790
2-N-ethyl-4-N-(1-methoxypropan-2-yl)pyrimidine-2,4-diamine
CID 80786237
2-methyl-N-(2-methylbutyl)pyrimidin-4-amine
CID 62769511
4-N-(2-ethoxyethyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80792749
2-N-ethyl-4-N-(2-methyl-3-methylsulfanylpropyl)quinazoline-2,4-diamine
CID 80839910
2-[[2-(ethylamino)pyrimidin-4-yl]amino]-2-(hydroxymethyl)propane-1,3-diol
CID 107855731

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-4-N-(2-methyl-3-methylsulfanylpropyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-ethyl-4-N-(2-methyl-3-methylsulfanylpropyl)pyrimidine-2,4-diamine (CID 80838892) is 2-N-ethyl-4-N-(2-methyl-3-methylsulfanylpropyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-4-N-(2-methyl-3-methylsulfanylpropyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-4-N-(2-methyl-3-methylsulfanylpropyl)pyrimidine-2,4-diamine is CCNc1nccc(NCC(C)CSC)n1.
What is the InChIKey of 2-N-ethyl-4-N-(2-methyl-3-methylsulfanylpropyl)pyrimidine-2,4-diamine?
The InChIKey is GYZDWAMSUCAFMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4S/c1-4-12-11-13-6-5-10(15-11)14-7-9(2)8-16-3/h5-6,9H,4,7-8H2,1-3H3,(H2,12,13,14,15).
What are the key properties of 2-N-ethyl-4-N-(2-methyl-3-methylsulfanylpropyl)pyrimidine-2,4-diamine?
2-N-ethyl-4-N-(2-methyl-3-methylsulfanylpropyl)pyrimidine-2,4-diamine has a molecular weight of 240.38 g/mol, XLogP of 2.32, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-4-N-(2-methyl-3-methylsulfanylpropyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80838892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).