N-benzyl-2-thiomorpholin-4-ylpyrimidin-4-amine

C15H18N4S — CID 46871648

IUPACN-benzyl-2-thiomorpholin-4-ylpyrimidin-4-amine
SMILESc1ccc(CNc2ccnc(N3CCSCC3)n2)cc1
InChIInChI=1S/C15H18N4S/c1-2-4-13(5-3-1)12-17-14-6-7-16-15(18-14)19-8-10-20-11-9-19/h1-7H,8-12H2,(H,16,17,18)
InChIKeySPJWTUJGKPIRMF-UHFFFAOYSA-N
MW286.40 g/mol
LogP2.64
Rot. Bonds4

About N-benzyl-2-thiomorpholin-4-ylpyrimidin-4-amine

N-benzyl-2-thiomorpholin-4-ylpyrimidin-4-amine (PubChem CID 46871648) has the molecular formula C15H18N4S and a molecular weight of 286.40 g/mol. Its IUPAC name is N-benzyl-2-thiomorpholin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-benzyl-2-thiomorpholin-4-ylpyrimidin-4-amine
PubChem CID46871648
Molecular FormulaC15H18N4S
Molecular Weight286.40 g/mol
Exact Mass286.13
IUPAC NameN-benzyl-2-thiomorpholin-4-ylpyrimidin-4-amine
SMILESc1ccc(CNc2ccnc(N3CCSCC3)n2)cc1
InChIInChI=1S/C15H18N4S/c1-2-4-13(5-3-1)12-17-14-6-7-16-15(18-14)19-8-10-20-11-9-19/h1-7H,8-12H2,(H,16,17,18)
InChIKeySPJWTUJGKPIRMF-UHFFFAOYSA-N
XLogP2.64
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-thiomorpholin-4-ylpyrimidin-4-amine?
The IUPAC name of N-benzyl-2-thiomorpholin-4-ylpyrimidin-4-amine (CID 46871648) is N-benzyl-2-thiomorpholin-4-ylpyrimidin-4-amine.
What is the SMILES notation for N-benzyl-2-thiomorpholin-4-ylpyrimidin-4-amine?
The canonical SMILES for N-benzyl-2-thiomorpholin-4-ylpyrimidin-4-amine is c1ccc(CNc2ccnc(N3CCSCC3)n2)cc1.
What is the InChIKey of N-benzyl-2-thiomorpholin-4-ylpyrimidin-4-amine?
The InChIKey is SPJWTUJGKPIRMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4S/c1-2-4-13(5-3-1)12-17-14-6-7-16-15(18-14)19-8-10-20-11-9-19/h1-7H,8-12H2,(H,16,17,18).
What are the key properties of N-benzyl-2-thiomorpholin-4-ylpyrimidin-4-amine?
N-benzyl-2-thiomorpholin-4-ylpyrimidin-4-amine has a molecular weight of 286.40 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-thiomorpholin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 46871648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).