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

C13H24N4S — CID 80839556

IUPAC5-methyl-4-N-(2-methyl-3-methylsulfanylpropyl)-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(C)c(NCC(C)CSC)n1
InChIInChI=1S/C13H24N4S/c1-5-6-14-13-16-8-11(3)12(17-13)15-7-10(2)9-18-4/h8,10H,5-7,9H2,1-4H3,(H2,14,15,16,17)
InChIKeyIOGLTVDRGKPPTI-UHFFFAOYSA-N
MW268.43 g/mol
LogP3.02
Rot. Bonds8

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

5-methyl-4-N-(2-methyl-3-methylsulfanylpropyl)-2-N-propylpyrimidine-2,4-diamine (PubChem CID 80839556) has the molecular formula C13H24N4S and a molecular weight of 268.43 g/mol. Its IUPAC name is 5-methyl-4-N-(2-methyl-3-methylsulfanylpropyl)-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-methyl-4-N-(2-methyl-3-methylsulfanylpropyl)-2-N-propylpyrimidine-2,4-diamine
PubChem CID80839556
Molecular FormulaC13H24N4S
Molecular Weight268.43 g/mol
Exact Mass268.17
IUPAC Name5-methyl-4-N-(2-methyl-3-methylsulfanylpropyl)-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(C)c(NCC(C)CSC)n1
InChIInChI=1S/C13H24N4S/c1-5-6-14-13-16-8-11(3)12(17-13)15-7-10(2)9-18-4/h8,10H,5-7,9H2,1-4H3,(H2,14,15,16,17)
InChIKeyIOGLTVDRGKPPTI-UHFFFAOYSA-N
XLogP3.02
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-4-N-(3-methyl-2-propan-2-ylbutyl)-2-N-propylpyrimidine-2,4-diamine
CID 102908907
4-methyl-1-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]pentan-2-ol
CID 107159661
1-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]butan-2-ol
CID 113493071
5-methyl-4-N-(2-piperidin-1-ylpropyl)-2-N-propylpyrimidine-2,4-diamine
CID 80792116
5-chloro-2-N-ethyl-4-N-(2-methyl-3-methylsulfanylpropyl)pyrimidine-2,4-diamine
CID 80838637
5-methyl-4-N-[2-[methyl(propan-2-yl)amino]ethyl]-2-N-propylpyrimidine-2,4-diamine
CID 80832239
5-ethyl-4-N-(2-methyl-3-methylsulfanylpropyl)-6-N-propylpyrimidine-4,6-diamine
CID 80839291
2-ethyl-5-methyl-4-N-(2-methyl-3-methylsulfanylpropyl)-6-N-propylpyrimidine-4,6-diamine
CID 80985227
5-methyl-4-methylsulfanyl-N-propylpyrimidin-2-amine
CID 80886307
5-methyl-2-N-propyl-4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-2,4-diamine
CID 80848762
5-bromo-2-hydrazinyl-N-(2-methyl-3-methylsulfanylpropyl)pyrimidin-4-amine
CID 80912407
4-N-(1-ethoxypropan-2-yl)-5-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80813857

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-N-(2-methyl-3-methylsulfanylpropyl)-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 5-methyl-4-N-(2-methyl-3-methylsulfanylpropyl)-2-N-propylpyrimidine-2,4-diamine (CID 80839556) is 5-methyl-4-N-(2-methyl-3-methylsulfanylpropyl)-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-methyl-4-N-(2-methyl-3-methylsulfanylpropyl)-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 5-methyl-4-N-(2-methyl-3-methylsulfanylpropyl)-2-N-propylpyrimidine-2,4-diamine is CCCNc1ncc(C)c(NCC(C)CSC)n1.
What is the InChIKey of 5-methyl-4-N-(2-methyl-3-methylsulfanylpropyl)-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is IOGLTVDRGKPPTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4S/c1-5-6-14-13-16-8-11(3)12(17-13)15-7-10(2)9-18-4/h8,10H,5-7,9H2,1-4H3,(H2,14,15,16,17).
What are the key properties of 5-methyl-4-N-(2-methyl-3-methylsulfanylpropyl)-2-N-propylpyrimidine-2,4-diamine?
5-methyl-4-N-(2-methyl-3-methylsulfanylpropyl)-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 268.43 g/mol, XLogP of 3.02, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-N-(2-methyl-3-methylsulfanylpropyl)-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 80839556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).