6-chloro-5-propyl-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine

C13H21ClN4S — CID 114173942

IUPAC6-chloro-5-propyl-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine
SMILESCCCc1c(Cl)ncnc1NCCN1CCSCC1
InChIInChI=1S/C13H21ClN4S/c1-2-3-11-12(14)16-10-17-13(11)15-4-5-18-6-8-19-9-7-18/h10H,2-9H2,1H3,(H,15,16,17)
InChIKeyVWEQEDKFDYOEFQ-UHFFFAOYSA-N
MW300.86 g/mol
LogP2.54
Rot. Bonds6

About 6-chloro-5-propyl-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine

6-chloro-5-propyl-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine (PubChem CID 114173942) has the molecular formula C13H21ClN4S and a molecular weight of 300.86 g/mol. Its IUPAC name is 6-chloro-5-propyl-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-5-propyl-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine
PubChem CID114173942
Molecular FormulaC13H21ClN4S
Molecular Weight300.86 g/mol
Exact Mass300.12
IUPAC Name6-chloro-5-propyl-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine
SMILESCCCc1c(Cl)ncnc1NCCN1CCSCC1
InChIInChI=1S/C13H21ClN4S/c1-2-3-11-12(14)16-10-17-13(11)15-4-5-18-6-8-19-9-7-18/h10H,2-9H2,1H3,(H,15,16,17)
InChIKeyVWEQEDKFDYOEFQ-UHFFFAOYSA-N
XLogP2.54
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.86
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-propyl-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-5-propyl-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine (CID 114173942) is 6-chloro-5-propyl-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-5-propyl-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-5-propyl-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine is CCCc1c(Cl)ncnc1NCCN1CCSCC1.
What is the InChIKey of 6-chloro-5-propyl-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine?
The InChIKey is VWEQEDKFDYOEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN4S/c1-2-3-11-12(14)16-10-17-13(11)15-4-5-18-6-8-19-9-7-18/h10H,2-9H2,1H3,(H,15,16,17).
What are the key properties of 6-chloro-5-propyl-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine?
6-chloro-5-propyl-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine has a molecular weight of 300.86 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-propyl-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine is sourced from PubChem (CID 114173942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).