(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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Related Compounds

(5-amino-2-propan-2-ylpyrimidin-4-yl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
CID 66370325
(5-amino-2-propan-2-ylpyrimidin-4-yl)-(1,3-dihydroisoindol-2-yl)methanone
CID 62231556
azocan-1-yl-(5-chloro-2-propan-2-ylpyrimidin-4-yl)methanone
CID 62021698
(5-chloro-2-propan-2-ylpyrimidin-4-yl)-(4-methylpiperazin-1-yl)methanone
CID 62089029
(5-chloro-2-propan-2-ylpyrimidin-4-yl)-[4-(dimethylamino)piperidin-1-yl]methanone
CID 56821641
4-(5-amino-2-propan-2-ylpyrimidine-4-carbonyl)-3-methylpiperazine-2,6-dione
CID 66076434
(5-chloro-2-propan-2-ylpyrimidin-4-yl)-(4-hydroxypiperidin-1-yl)methanone
CID 55032845
(5-chloro-2-propan-2-ylpyrimidin-4-yl)-(4-ethylpiperazin-1-yl)methanone
CID 62086699
5-amino-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-2-propan-2-ylpyrimidine-4-carboxamide
CID 63275010
5-amino-N-ethyl-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide
CID 62155107
5-amino-N-(2,2-dimethylpropyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 62161344
5-amino-N-(cyclopropylmethyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 55043487

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).