[(2S)-2-(6-amino-2-methylpyrimidin-4-yl)morpholin-4-yl]-(1,3-thiazol-4-yl)methanone

C13H15N5O2S — CID 95847623

IUPAC[(2S)-2-(6-amino-2-methylpyrimidin-4-yl)morpholin-4-yl]-(1,3-thiazol-4-yl)methanone
SMILESCc1nc(N)cc([C@@H]2CN(C(=O)c3cscn3)CCO2)n1
InChIInChI=1S/C13H15N5O2S/c1-8-16-9(4-12(14)17-8)11-5-18(2-3-20-11)13(19)10-6-21-7-15-10/h4,6-7,11H,2-3,5H2,1H3,(H2,14,16,17)/t11-/m0/s1
InChIKeyDWVBLCSPGVEKBY-NSHDSACASA-N
MW305.36 g/mol
LogP1.04
Rot. Bonds2

About [(2S)-2-(6-amino-2-methylpyrimidin-4-yl)morpholin-4-yl]-(1,3-thiazol-4-yl)methanone

[(2S)-2-(6-amino-2-methylpyrimidin-4-yl)morpholin-4-yl]-(1,3-thiazol-4-yl)methanone (PubChem CID 95847623) has the molecular formula C13H15N5O2S and a molecular weight of 305.36 g/mol. Its IUPAC name is [(2S)-2-(6-amino-2-methylpyrimidin-4-yl)morpholin-4-yl]-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-(6-amino-2-methylpyrimidin-4-yl)morpholin-4-yl]-(1,3-thiazol-4-yl)methanone
PubChem CID95847623
Molecular FormulaC13H15N5O2S
Molecular Weight305.36 g/mol
Exact Mass305.09
IUPAC Name[(2S)-2-(6-amino-2-methylpyrimidin-4-yl)morpholin-4-yl]-(1,3-thiazol-4-yl)methanone
SMILESCc1nc(N)cc([C@@H]2CN(C(=O)c3cscn3)CCO2)n1
InChIInChI=1S/C13H15N5O2S/c1-8-16-9(4-12(14)17-8)11-5-18(2-3-20-11)13(19)10-6-21-7-15-10/h4,6-7,11H,2-3,5H2,1H3,(H2,14,16,17)/t11-/m0/s1
InChIKeyDWVBLCSPGVEKBY-NSHDSACASA-N
XLogP1.04
TPSA94.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(6-amino-2-methylpyrimidin-4-yl)morpholin-4-yl]-(1,3-thiazol-4-yl)methanone?
The IUPAC name of [(2S)-2-(6-amino-2-methylpyrimidin-4-yl)morpholin-4-yl]-(1,3-thiazol-4-yl)methanone (CID 95847623) is [(2S)-2-(6-amino-2-methylpyrimidin-4-yl)morpholin-4-yl]-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [(2S)-2-(6-amino-2-methylpyrimidin-4-yl)morpholin-4-yl]-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for [(2S)-2-(6-amino-2-methylpyrimidin-4-yl)morpholin-4-yl]-(1,3-thiazol-4-yl)methanone is Cc1nc(N)cc([C@@H]2CN(C(=O)c3cscn3)CCO2)n1.
What is the InChIKey of [(2S)-2-(6-amino-2-methylpyrimidin-4-yl)morpholin-4-yl]-(1,3-thiazol-4-yl)methanone?
The InChIKey is DWVBLCSPGVEKBY-NSHDSACASA-N. The full InChI is InChI=1S/C13H15N5O2S/c1-8-16-9(4-12(14)17-8)11-5-18(2-3-20-11)13(19)10-6-21-7-15-10/h4,6-7,11H,2-3,5H2,1H3,(H2,14,16,17)/t11-/m0/s1.
What are the key properties of [(2S)-2-(6-amino-2-methylpyrimidin-4-yl)morpholin-4-yl]-(1,3-thiazol-4-yl)methanone?
[(2S)-2-(6-amino-2-methylpyrimidin-4-yl)morpholin-4-yl]-(1,3-thiazol-4-yl)methanone has a molecular weight of 305.36 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(6-amino-2-methylpyrimidin-4-yl)morpholin-4-yl]-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 95847623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).