(2S)-4-(2,6-diethylpyrimidin-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)morpholine

C16H22N4OS — CID 164642592

IUPAC(2S)-4-(2,6-diethylpyrimidin-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)morpholine
SMILESCCc1cc(N2CCO[C@H](c3nc(C)cs3)C2)nc(CC)n1
InChIInChI=1S/C16H22N4OS/c1-4-12-8-15(19-14(5-2)18-12)20-6-7-21-13(9-20)16-17-11(3)10-22-16/h8,10,13H,4-7,9H2,1-3H3/t13-/m0/s1
InChIKeyDGUHBNGOLVJDBL-ZDUSSCGKSA-N
MW318.45 g/mol
LogP2.94
Rot. Bonds4

About (2S)-4-(2,6-diethylpyrimidin-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)morpholine

(2S)-4-(2,6-diethylpyrimidin-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)morpholine (PubChem CID 164642592) has the molecular formula C16H22N4OS and a molecular weight of 318.45 g/mol. Its IUPAC name is (2S)-4-(2,6-diethylpyrimidin-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)morpholine.

Molecular Properties

Compound Name(2S)-4-(2,6-diethylpyrimidin-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)morpholine
PubChem CID164642592
Molecular FormulaC16H22N4OS
Molecular Weight318.45 g/mol
Exact Mass318.15
IUPAC Name(2S)-4-(2,6-diethylpyrimidin-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)morpholine
SMILESCCc1cc(N2CCO[C@H](c3nc(C)cs3)C2)nc(CC)n1
InChIInChI=1S/C16H22N4OS/c1-4-12-8-15(19-14(5-2)18-12)20-6-7-21-13(9-20)16-17-11(3)10-22-16/h8,10,13H,4-7,9H2,1-3H3/t13-/m0/s1
InChIKeyDGUHBNGOLVJDBL-ZDUSSCGKSA-N
XLogP2.94
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-Ethoxyethyl)-4-[[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]methyl]-1,3-thiazole
CID 71926487
N-[2-(4,5-Dimethyl-1,3-thiazol-2-YL)ethyl]-1-(6-ethyl-2-methylpyrimidin-4-YL)piperidin-4-amine
CID 72929445
N,6-dimethyl-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholin-3-yl]pyrimidin-4-amine
CID 110113761
N,N,6-trimethyl-2-[4-(1,3-thiazol-4-ylmethyl)morpholin-3-yl]pyrimidin-4-amine
CID 110113840
N,N,6-trimethyl-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholin-3-yl]pyrimidin-4-amine
CID 110113843
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
6-(3-Aminocyclobutyl)-N-[(2-isopropyl-1,3-thiazol-4-YL)methyl]-2-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 91771013
N-[[2-[(1S)-1-ethoxyethyl]-1,3-thiazol-4-yl]methyl]-N,2,5,6-tetramethylpyrimidin-4-amine
CID 97227175
N-(4,4-difluorocyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)-6-(1-morpholin-4-ylethyl)pyrimidin-4-amine
CID 132207104
4-[6-[(4,4-Difluorocyclohexyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-yl]morpholine
CID 132207328

Frequently Asked Questions

What is the IUPAC name of (2S)-4-(2,6-diethylpyrimidin-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)morpholine?
The IUPAC name of (2S)-4-(2,6-diethylpyrimidin-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)morpholine (CID 164642592) is (2S)-4-(2,6-diethylpyrimidin-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)morpholine.
What is the SMILES notation for (2S)-4-(2,6-diethylpyrimidin-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)morpholine?
The canonical SMILES for (2S)-4-(2,6-diethylpyrimidin-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)morpholine is CCc1cc(N2CCO[C@H](c3nc(C)cs3)C2)nc(CC)n1.
What is the InChIKey of (2S)-4-(2,6-diethylpyrimidin-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)morpholine?
The InChIKey is DGUHBNGOLVJDBL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H22N4OS/c1-4-12-8-15(19-14(5-2)18-12)20-6-7-21-13(9-20)16-17-11(3)10-22-16/h8,10,13H,4-7,9H2,1-3H3/t13-/m0/s1.
What are the key properties of (2S)-4-(2,6-diethylpyrimidin-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)morpholine?
(2S)-4-(2,6-diethylpyrimidin-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)morpholine has a molecular weight of 318.45 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(2,6-diethylpyrimidin-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)morpholine is sourced from PubChem (CID 164642592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).