N,N-dimethyl-1-[(2S)-4-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]methanamine

C15H21N5OS — CID 95332211

IUPACN,N-dimethyl-1-[(2S)-4-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]methanamine
SMILESCN(C)C[C@H]1CN(Cc2csc(-c3ncccn3)n2)CCO1
InChIInChI=1S/C15H21N5OS/c1-19(2)9-13-10-20(6-7-21-13)8-12-11-22-15(18-12)14-16-4-3-5-17-14/h3-5,11,13H,6-10H2,1-2H3/t13-/m0/s1
InChIKeyOOMPESBUZOZPST-ZDUSSCGKSA-N
MW319.43 g/mol
LogP1.36
Rot. Bonds5

About N,N-dimethyl-1-[(2S)-4-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]methanamine

N,N-dimethyl-1-[(2S)-4-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]methanamine (PubChem CID 95332211) has the molecular formula C15H21N5OS and a molecular weight of 319.43 g/mol. Its IUPAC name is N,N-dimethyl-1-[(2S)-4-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[(2S)-4-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]methanamine
PubChem CID95332211
Molecular FormulaC15H21N5OS
Molecular Weight319.43 g/mol
Exact Mass319.15
IUPAC NameN,N-dimethyl-1-[(2S)-4-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]methanamine
SMILESCN(C)C[C@H]1CN(Cc2csc(-c3ncccn3)n2)CCO1
InChIInChI=1S/C15H21N5OS/c1-19(2)9-13-10-20(6-7-21-13)8-12-11-22-15(18-12)14-16-4-3-5-17-14/h3-5,11,13H,6-10H2,1-2H3/t13-/m0/s1
InChIKeyOOMPESBUZOZPST-ZDUSSCGKSA-N
XLogP1.36
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[(2S)-4-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]methanamine?
The IUPAC name of N,N-dimethyl-1-[(2S)-4-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]methanamine (CID 95332211) is N,N-dimethyl-1-[(2S)-4-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[(2S)-4-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[(2S)-4-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]methanamine is CN(C)C[C@H]1CN(Cc2csc(-c3ncccn3)n2)CCO1.
What is the InChIKey of N,N-dimethyl-1-[(2S)-4-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]methanamine?
The InChIKey is OOMPESBUZOZPST-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H21N5OS/c1-19(2)9-13-10-20(6-7-21-13)8-12-11-22-15(18-12)14-16-4-3-5-17-14/h3-5,11,13H,6-10H2,1-2H3/t13-/m0/s1.
What are the key properties of N,N-dimethyl-1-[(2S)-4-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]methanamine?
N,N-dimethyl-1-[(2S)-4-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]methanamine has a molecular weight of 319.43 g/mol, XLogP of 1.36, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[(2S)-4-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]methanamine is sourced from PubChem (CID 95332211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).