(2S)-2-(2,6-dimethylpyrimidin-4-yl)-4-(1,3-thiazol-4-ylmethyl)morpholine

C14H18N4OS — CID 125001758

IUPAC(2S)-2-(2,6-dimethylpyrimidin-4-yl)-4-(1,3-thiazol-4-ylmethyl)morpholine
SMILESCc1cc([C@@H]2CN(Cc3cscn3)CCO2)nc(C)n1
InChIInChI=1S/C14H18N4OS/c1-10-5-13(17-11(2)16-10)14-7-18(3-4-19-14)6-12-8-20-9-15-12/h5,8-9,14H,3-4,6-7H2,1-2H3/t14-/m0/s1
InChIKeySFQMYSASMIVYQU-AWEZNQCLSA-N
MW290.39 g/mol
LogP2.12
Rot. Bonds3

About (2S)-2-(2,6-dimethylpyrimidin-4-yl)-4-(1,3-thiazol-4-ylmethyl)morpholine

(2S)-2-(2,6-dimethylpyrimidin-4-yl)-4-(1,3-thiazol-4-ylmethyl)morpholine (PubChem CID 125001758) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is (2S)-2-(2,6-dimethylpyrimidin-4-yl)-4-(1,3-thiazol-4-ylmethyl)morpholine.

Molecular Properties

Compound Name(2S)-2-(2,6-dimethylpyrimidin-4-yl)-4-(1,3-thiazol-4-ylmethyl)morpholine
PubChem CID125001758
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name(2S)-2-(2,6-dimethylpyrimidin-4-yl)-4-(1,3-thiazol-4-ylmethyl)morpholine
SMILESCc1cc([C@@H]2CN(Cc3cscn3)CCO2)nc(C)n1
InChIInChI=1S/C14H18N4OS/c1-10-5-13(17-11(2)16-10)14-7-18(3-4-19-14)6-12-8-20-9-15-12/h5,8-9,14H,3-4,6-7H2,1-2H3/t14-/m0/s1
InChIKeySFQMYSASMIVYQU-AWEZNQCLSA-N
XLogP2.12
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(6-Amino-2-methylpyrimidin-4-yl)morpholin-4-yl]-(1,3-thiazol-4-yl)methanone
CID 110271884
[2-[2-Methyl-6-(methylamino)pyrimidin-4-yl]morpholin-4-yl]-(1,3-thiazol-4-yl)methanone
CID 110271885
N,2-dimethyl-6-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]pyrimidin-4-amine
CID 110271888
N,2-dimethyl-6-[4-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholin-2-yl]pyrimidin-4-amine
CID 110271889
N,N,2-trimethyl-6-[4-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholin-2-yl]pyrimidin-4-amine
CID 110271890
4-[4-(Methoxymethyl)-6-piperidin-1-ylpyrimidin-2-yl]-2-methyl-1,3-thiazole
CID 2745354
(2S)-4-(2,6-diethylpyrimidin-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)morpholine
CID 164642592
N-(2,2-difluorocyclohexyl)-6-(1-methoxyethyl)-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine
CID 132206828
N-(4,4-difluorocyclohexyl)-4-[(1S)-1-methoxyethyl]-6-(4-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine
CID 132207287
N-(4,4-difluorocyclohexyl)-4-(1-methoxyethyl)-6-(4-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine
CID 132207298
4-[4-(Methoxymethyl)-6-propan-2-ylpyrimidin-2-yl]-2-methyl-1,3-thiazole
CID 57833067
4-[4-Tert-butyl-6-(methoxymethyl)pyrimidin-2-yl]-2-methyl-1,3-thiazole
CID 59743792

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,6-dimethylpyrimidin-4-yl)-4-(1,3-thiazol-4-ylmethyl)morpholine?
The IUPAC name of (2S)-2-(2,6-dimethylpyrimidin-4-yl)-4-(1,3-thiazol-4-ylmethyl)morpholine (CID 125001758) is (2S)-2-(2,6-dimethylpyrimidin-4-yl)-4-(1,3-thiazol-4-ylmethyl)morpholine.
What is the SMILES notation for (2S)-2-(2,6-dimethylpyrimidin-4-yl)-4-(1,3-thiazol-4-ylmethyl)morpholine?
The canonical SMILES for (2S)-2-(2,6-dimethylpyrimidin-4-yl)-4-(1,3-thiazol-4-ylmethyl)morpholine is Cc1cc([C@@H]2CN(Cc3cscn3)CCO2)nc(C)n1.
What is the InChIKey of (2S)-2-(2,6-dimethylpyrimidin-4-yl)-4-(1,3-thiazol-4-ylmethyl)morpholine?
The InChIKey is SFQMYSASMIVYQU-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-10-5-13(17-11(2)16-10)14-7-18(3-4-19-14)6-12-8-20-9-15-12/h5,8-9,14H,3-4,6-7H2,1-2H3/t14-/m0/s1.
What are the key properties of (2S)-2-(2,6-dimethylpyrimidin-4-yl)-4-(1,3-thiazol-4-ylmethyl)morpholine?
(2S)-2-(2,6-dimethylpyrimidin-4-yl)-4-(1,3-thiazol-4-ylmethyl)morpholine has a molecular weight of 290.39 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,6-dimethylpyrimidin-4-yl)-4-(1,3-thiazol-4-ylmethyl)morpholine is sourced from PubChem (CID 125001758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).