(5-amino-2-propan-2-ylpyrimidin-4-yl)-thiomorpholin-4-ylmethanone

C12H18N4OS — CID 62155760

IUPAC(5-amino-2-propan-2-ylpyrimidin-4-yl)-thiomorpholin-4-ylmethanone
SMILESCC(C)c1ncc(N)c(C(=O)N2CCSCC2)n1
InChIInChI=1S/C12H18N4OS/c1-8(2)11-14-7-9(13)10(15-11)12(17)16-3-5-18-6-4-16/h7-8H,3-6,13H2,1-2H3
InChIKeyLPSKZJWCUJOTPZ-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.37
Rot. Bonds2

About (5-amino-2-propan-2-ylpyrimidin-4-yl)-thiomorpholin-4-ylmethanone

(5-amino-2-propan-2-ylpyrimidin-4-yl)-thiomorpholin-4-ylmethanone (PubChem CID 62155760) has the molecular formula C12H18N4OS and a molecular weight of 266.37 g/mol. Its IUPAC name is (5-amino-2-propan-2-ylpyrimidin-4-yl)-thiomorpholin-4-ylmethanone.

Molecular Properties

Compound Name(5-amino-2-propan-2-ylpyrimidin-4-yl)-thiomorpholin-4-ylmethanone
PubChem CID62155760
Molecular FormulaC12H18N4OS
Molecular Weight266.37 g/mol
Exact Mass266.12
IUPAC Name(5-amino-2-propan-2-ylpyrimidin-4-yl)-thiomorpholin-4-ylmethanone
SMILESCC(C)c1ncc(N)c(C(=O)N2CCSCC2)n1
InChIInChI=1S/C12H18N4OS/c1-8(2)11-14-7-9(13)10(15-11)12(17)16-3-5-18-6-4-16/h7-8H,3-6,13H2,1-2H3
InChIKeyLPSKZJWCUJOTPZ-UHFFFAOYSA-N
XLogP1.37
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-amino-2-propan-2-ylpyrimidin-4-yl)-thiomorpholin-4-ylmethanone?
The IUPAC name of (5-amino-2-propan-2-ylpyrimidin-4-yl)-thiomorpholin-4-ylmethanone (CID 62155760) is (5-amino-2-propan-2-ylpyrimidin-4-yl)-thiomorpholin-4-ylmethanone.
What is the SMILES notation for (5-amino-2-propan-2-ylpyrimidin-4-yl)-thiomorpholin-4-ylmethanone?
The canonical SMILES for (5-amino-2-propan-2-ylpyrimidin-4-yl)-thiomorpholin-4-ylmethanone is CC(C)c1ncc(N)c(C(=O)N2CCSCC2)n1.
What is the InChIKey of (5-amino-2-propan-2-ylpyrimidin-4-yl)-thiomorpholin-4-ylmethanone?
The InChIKey is LPSKZJWCUJOTPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4OS/c1-8(2)11-14-7-9(13)10(15-11)12(17)16-3-5-18-6-4-16/h7-8H,3-6,13H2,1-2H3.
What are the key properties of (5-amino-2-propan-2-ylpyrimidin-4-yl)-thiomorpholin-4-ylmethanone?
(5-amino-2-propan-2-ylpyrimidin-4-yl)-thiomorpholin-4-ylmethanone has a molecular weight of 266.37 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2-propan-2-ylpyrimidin-4-yl)-thiomorpholin-4-ylmethanone is sourced from PubChem (CID 62155760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).