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

C12H21N5S — CID 106327548

IUPAC5-ethyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-4,6-diamine
SMILESCCc1c(N)ncnc1NCCN1CCSCC1
InChIInChI=1S/C12H21N5S/c1-2-10-11(13)15-9-16-12(10)14-3-4-17-5-7-18-8-6-17/h9H,2-8H2,1H3,(H3,13,14,15,16)
InChIKeyWACWFESYCZCEEA-UHFFFAOYSA-N
MW267.40 g/mol
LogP1.08
Rot. Bonds5

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

5-ethyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-4,6-diamine (PubChem CID 106327548) has the molecular formula C12H21N5S and a molecular weight of 267.40 g/mol. Its IUPAC name is 5-ethyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-ethyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-4,6-diamine
PubChem CID106327548
Molecular FormulaC12H21N5S
Molecular Weight267.40 g/mol
Exact Mass267.15
IUPAC Name5-ethyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-4,6-diamine
SMILESCCc1c(N)ncnc1NCCN1CCSCC1
InChIInChI=1S/C12H21N5S/c1-2-10-11(13)15-9-16-12(10)14-3-4-17-5-7-18-8-6-17/h9H,2-8H2,1H3,(H3,13,14,15,16)
InChIKeyWACWFESYCZCEEA-UHFFFAOYSA-N
XLogP1.08
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-4,6-diamine?
The IUPAC name of 5-ethyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-4,6-diamine (CID 106327548) is 5-ethyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 5-ethyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 5-ethyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-4,6-diamine is CCc1c(N)ncnc1NCCN1CCSCC1.
What is the InChIKey of 5-ethyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-4,6-diamine?
The InChIKey is WACWFESYCZCEEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5S/c1-2-10-11(13)15-9-16-12(10)14-3-4-17-5-7-18-8-6-17/h9H,2-8H2,1H3,(H3,13,14,15,16).
What are the key properties of 5-ethyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-4,6-diamine?
5-ethyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-4,6-diamine has a molecular weight of 267.40 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 106327548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).