2-ethyl-5-methyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-4,6-diamine

C13H23N5S — CID 106327553

IUPAC2-ethyl-5-methyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-4,6-diamine
SMILESCCc1nc(N)c(C)c(NCCN2CCSCC2)n1
InChIInChI=1S/C13H23N5S/c1-3-11-16-12(14)10(2)13(17-11)15-4-5-18-6-8-19-9-7-18/h3-9H2,1-2H3,(H3,14,15,16,17)
InChIKeyJCMLWFUFTQZFPD-UHFFFAOYSA-N
MW281.43 g/mol
LogP1.39
Rot. Bonds5

About 2-ethyl-5-methyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-4,6-diamine

2-ethyl-5-methyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-4,6-diamine (PubChem CID 106327553) has the molecular formula C13H23N5S and a molecular weight of 281.43 g/mol. Its IUPAC name is 2-ethyl-5-methyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-ethyl-5-methyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-4,6-diamine
PubChem CID106327553
Molecular FormulaC13H23N5S
Molecular Weight281.43 g/mol
Exact Mass281.17
IUPAC Name2-ethyl-5-methyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-4,6-diamine
SMILESCCc1nc(N)c(C)c(NCCN2CCSCC2)n1
InChIInChI=1S/C13H23N5S/c1-3-11-16-12(14)10(2)13(17-11)15-4-5-18-6-8-19-9-7-18/h3-9H2,1-2H3,(H3,14,15,16,17)
InChIKeyJCMLWFUFTQZFPD-UHFFFAOYSA-N
XLogP1.39
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.43
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2,5-dimethyl-6-N-propyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-4,6-diamine
CID 106327505
4-N-butyl-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 80980996
2-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]ethanol
CID 80981938
5-ethyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-4,6-diamine
CID 106327548
6-chloro-2-ethyl-5-methyl-N-(2-piperidin-1-ylethyl)pyrimidin-4-amine
CID 79557700
4-methyl-5-N-(2-thiomorpholin-4-ylethyl)-1,2-thiazole-3,5-diamine
CID 106327709
3-bromo-4-methyl-2-N-(2-thiomorpholin-4-ylethyl)pyridine-2,5-diamine
CID 114173719
5-methyl-2-propan-2-yl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-4,6-diamine
CID 80982944
4-N-[2-(3,5-difluorophenyl)ethyl]-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 80985293
2-methyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-4,6-diamine
CID 114174035
2-tert-butyl-5-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine
CID 80980968
2-ethyl-5-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80981531

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-methyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-4,6-diamine?
The IUPAC name of 2-ethyl-5-methyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-4,6-diamine (CID 106327553) is 2-ethyl-5-methyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-ethyl-5-methyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-ethyl-5-methyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-4,6-diamine is CCc1nc(N)c(C)c(NCCN2CCSCC2)n1.
What is the InChIKey of 2-ethyl-5-methyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-4,6-diamine?
The InChIKey is JCMLWFUFTQZFPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5S/c1-3-11-16-12(14)10(2)13(17-11)15-4-5-18-6-8-19-9-7-18/h3-9H2,1-2H3,(H3,14,15,16,17).
What are the key properties of 2-ethyl-5-methyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-4,6-diamine?
2-ethyl-5-methyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-4,6-diamine has a molecular weight of 281.43 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-methyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 106327553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).