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

C11H19ClN4S — CID 80838637

IUPAC5-chloro-2-N-ethyl-4-N-(2-methyl-3-methylsulfanylpropyl)pyrimidine-2,4-diamine
SMILESCCNc1ncc(Cl)c(NCC(C)CSC)n1
InChIInChI=1S/C11H19ClN4S/c1-4-13-11-15-6-9(12)10(16-11)14-5-8(2)7-17-3/h6,8H,4-5,7H2,1-3H3,(H2,13,14,15,16)
InChIKeyCIDSHYDOWWJULJ-UHFFFAOYSA-N
MW274.82 g/mol
LogP2.97
Rot. Bonds7

About 5-chloro-2-N-ethyl-4-N-(2-methyl-3-methylsulfanylpropyl)pyrimidine-2,4-diamine

5-chloro-2-N-ethyl-4-N-(2-methyl-3-methylsulfanylpropyl)pyrimidine-2,4-diamine (PubChem CID 80838637) has the molecular formula C11H19ClN4S and a molecular weight of 274.82 g/mol. Its IUPAC name is 5-chloro-2-N-ethyl-4-N-(2-methyl-3-methylsulfanylpropyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-2-N-ethyl-4-N-(2-methyl-3-methylsulfanylpropyl)pyrimidine-2,4-diamine
PubChem CID80838637
Molecular FormulaC11H19ClN4S
Molecular Weight274.82 g/mol
Exact Mass274.10
IUPAC Name5-chloro-2-N-ethyl-4-N-(2-methyl-3-methylsulfanylpropyl)pyrimidine-2,4-diamine
SMILESCCNc1ncc(Cl)c(NCC(C)CSC)n1
InChIInChI=1S/C11H19ClN4S/c1-4-13-11-15-6-9(12)10(16-11)14-5-8(2)7-17-3/h6,8H,4-5,7H2,1-3H3,(H2,13,14,15,16)
InChIKeyCIDSHYDOWWJULJ-UHFFFAOYSA-N
XLogP2.97
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.82
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-2-N-ethyl-4-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrimidine-2,4-diamine
CID 80831006
5-methyl-4-N-(2-methyl-3-methylsulfanylpropyl)-2-N-propylpyrimidine-2,4-diamine
CID 80839556
5-chloro-2-N-ethyl-4-N-methylpyrimidine-2,4-diamine
CID 80769890
4-N-butan-2-yl-5-chloro-2-N-ethylpyrimidine-2,4-diamine
CID 80765829
5-chloro-N-(2-methyl-3-methylsulfanylpropyl)pyrimidin-2-amine
CID 79556217
5-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]pentan-2-ol
CID 114148675
5-chloro-2-N-ethyl-4-N-(3-ethylpentan-2-yl)pyrimidine-2,4-diamine
CID 80846037
2-N-ethyl-4-N-(2-methyl-3-methylsulfanylpropyl)pyrimidine-2,4-diamine
CID 80838892
5-chloro-2-N-ethyl-4-N-[(4-propan-2-ylphenyl)methyl]pyrimidine-2,4-diamine
CID 80792892
2-N-ethyl-6-N-(2-methyl-3-methylsulfanylpropyl)-7H-purine-2,6-diamine
CID 114785289
5-bromo-2-hydrazinyl-N-(2-methyl-3-methylsulfanylpropyl)pyrimidin-4-amine
CID 80912407
2-N-ethyl-4-N-(2-methyl-3-methylsulfanylpropyl)quinazoline-2,4-diamine
CID 80839910

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-N-ethyl-4-N-(2-methyl-3-methylsulfanylpropyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-2-N-ethyl-4-N-(2-methyl-3-methylsulfanylpropyl)pyrimidine-2,4-diamine (CID 80838637) is 5-chloro-2-N-ethyl-4-N-(2-methyl-3-methylsulfanylpropyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-2-N-ethyl-4-N-(2-methyl-3-methylsulfanylpropyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-2-N-ethyl-4-N-(2-methyl-3-methylsulfanylpropyl)pyrimidine-2,4-diamine is CCNc1ncc(Cl)c(NCC(C)CSC)n1.
What is the InChIKey of 5-chloro-2-N-ethyl-4-N-(2-methyl-3-methylsulfanylpropyl)pyrimidine-2,4-diamine?
The InChIKey is CIDSHYDOWWJULJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN4S/c1-4-13-11-15-6-9(12)10(16-11)14-5-8(2)7-17-3/h6,8H,4-5,7H2,1-3H3,(H2,13,14,15,16).
What are the key properties of 5-chloro-2-N-ethyl-4-N-(2-methyl-3-methylsulfanylpropyl)pyrimidine-2,4-diamine?
5-chloro-2-N-ethyl-4-N-(2-methyl-3-methylsulfanylpropyl)pyrimidine-2,4-diamine has a molecular weight of 274.82 g/mol, XLogP of 2.97, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-N-ethyl-4-N-(2-methyl-3-methylsulfanylpropyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80838637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).