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

C10H16ClN5S — CID 106324872

IUPAC6-chloro-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-4,5-diamine
SMILESNc1c(Cl)ncnc1NCCN1CCSCC1
InChIInChI=1S/C10H16ClN5S/c11-9-8(12)10(15-7-14-9)13-1-2-16-3-5-17-6-4-16/h7H,1-6,12H2,(H,13,14,15)
InChIKeyYYFSOMFLHFGINH-UHFFFAOYSA-N
MW273.79 g/mol
LogP1.17
Rot. Bonds4

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

6-chloro-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-4,5-diamine (PubChem CID 106324872) has the molecular formula C10H16ClN5S and a molecular weight of 273.79 g/mol. Its IUPAC name is 6-chloro-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-chloro-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-4,5-diamine
PubChem CID106324872
Molecular FormulaC10H16ClN5S
Molecular Weight273.79 g/mol
Exact Mass273.08
IUPAC Name6-chloro-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-4,5-diamine
SMILESNc1c(Cl)ncnc1NCCN1CCSCC1
InChIInChI=1S/C10H16ClN5S/c11-9-8(12)10(15-7-14-9)13-1-2-16-3-5-17-6-4-16/h7H,1-6,12H2,(H,13,14,15)
InChIKeyYYFSOMFLHFGINH-UHFFFAOYSA-N
XLogP1.17
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.79
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-4,5-diamine?
The IUPAC name of 6-chloro-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-4,5-diamine (CID 106324872) is 6-chloro-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 6-chloro-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-4,5-diamine?
The canonical SMILES for 6-chloro-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-4,5-diamine is Nc1c(Cl)ncnc1NCCN1CCSCC1.
What is the InChIKey of 6-chloro-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-4,5-diamine?
The InChIKey is YYFSOMFLHFGINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN5S/c11-9-8(12)10(15-7-14-9)13-1-2-16-3-5-17-6-4-16/h7H,1-6,12H2,(H,13,14,15).
What are the key properties of 6-chloro-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-4,5-diamine?
6-chloro-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-4,5-diamine has a molecular weight of 273.79 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 106324872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).