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

C13H23N5S — CID 106327612

IUPAC2-N-ethyl-5-methyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-2,4-diamine
SMILESCCNc1ncc(C)c(NCCN2CCSCC2)n1
InChIInChI=1S/C13H23N5S/c1-3-14-13-16-10-11(2)12(17-13)15-4-5-18-6-8-19-9-7-18/h10H,3-9H2,1-2H3,(H2,14,15,16,17)
InChIKeyZLZWCLFYJUIQCV-UHFFFAOYSA-N
MW281.43 g/mol
LogP1.68
Rot. Bonds6

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

2-N-ethyl-5-methyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-2,4-diamine (PubChem CID 106327612) has the molecular formula C13H23N5S and a molecular weight of 281.43 g/mol. Its IUPAC name is 2-N-ethyl-5-methyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-5-methyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-2,4-diamine
PubChem CID106327612
Molecular FormulaC13H23N5S
Molecular Weight281.43 g/mol
Exact Mass281.17
IUPAC Name2-N-ethyl-5-methyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-2,4-diamine
SMILESCCNc1ncc(C)c(NCCN2CCSCC2)n1
InChIInChI=1S/C13H23N5S/c1-3-14-13-16-10-11(2)12(17-13)15-4-5-18-6-8-19-9-7-18/h10H,3-9H2,1-2H3,(H2,14,15,16,17)
InChIKeyZLZWCLFYJUIQCV-UHFFFAOYSA-N
XLogP1.68
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.43
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(2,2-dimethylpropyl)-5-methylpyrimidine-2,4-diamine
CID 80798438
2-Methyl-5-{[(5-methyl-2-pyrimidinyl)thio]methyl}-4-pyrimidinamine
CID 1251567
5-Methyl-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 25130908
N-methyl-2-piperidin-1-yl-N-[(2-propylsulfanylpyrimidin-5-yl)methyl]ethanamine
CID 46963072
2-(4-{[2-(Ethylthio)pyrimidin-5-yl]methyl}piperazin-1-yl)-5-methylpyrimidin-4-amine
CID 50968383
4-(4-{[2-(Ethylthio)pyrimidin-5-yl]methyl}piperazin-1-yl)-2,5-dimethylpyrimidine
CID 50977742
5-Methyl-4-{4-[2-(methylthio)ethyl]piperazin-1-yl}pyrimidin-2-amine
CID 72857715
5-methyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pyrimidin-2-amine
CID 72859157
5-Methyl-4-[4-(methylsulfanylmethyl)piperidin-1-yl]pyrimidin-2-amine
CID 72872800
5-ethyl-N~4~-(2-piperidin-1-ylethyl)pyrimidine-2,4-diamine
CID 72922646
5-methyl-N-(2-methyl-2-piperidin-1-ylpropyl)pyrimidin-2-amine
CID 72928341
N-methyl-5-[[methyl(2-piperidin-1-ylethyl)amino]methyl]pyrimidin-2-amine
CID 73945372

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-5-methyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-ethyl-5-methyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-2,4-diamine (CID 106327612) is 2-N-ethyl-5-methyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-5-methyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-5-methyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-2,4-diamine is CCNc1ncc(C)c(NCCN2CCSCC2)n1.
What is the InChIKey of 2-N-ethyl-5-methyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-2,4-diamine?
The InChIKey is ZLZWCLFYJUIQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5S/c1-3-14-13-16-10-11(2)12(17-13)15-4-5-18-6-8-19-9-7-18/h10H,3-9H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 2-N-ethyl-5-methyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-2,4-diamine?
2-N-ethyl-5-methyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-2,4-diamine has a molecular weight of 281.43 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-5-methyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 106327612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).