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

C18H19N5OS — CID 97073743

IUPAC(2S)-4-(2-methyl-6-pyridin-4-ylpyrimidin-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)morpholine
SMILESCc1csc([C@@H]2CN(c3cc(-c4ccncc4)nc(C)n3)CCO2)n1
InChIInChI=1S/C18H19N5OS/c1-12-11-25-18(20-12)16-10-23(7-8-24-16)17-9-15(21-13(2)22-17)14-3-5-19-6-4-14/h3-6,9,11,16H,7-8,10H2,1-2H3/t16-/m0/s1
InChIKeyBGIGCTVPIUSVEO-INIZCTEOSA-N
MW353.45 g/mol
LogP3.19
Rot. Bonds3

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

(2S)-4-(2-methyl-6-pyridin-4-ylpyrimidin-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)morpholine (PubChem CID 97073743) has the molecular formula C18H19N5OS and a molecular weight of 353.45 g/mol. Its IUPAC name is (2S)-4-(2-methyl-6-pyridin-4-ylpyrimidin-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)morpholine.

Molecular Properties

Compound Name(2S)-4-(2-methyl-6-pyridin-4-ylpyrimidin-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)morpholine
PubChem CID97073743
Molecular FormulaC18H19N5OS
Molecular Weight353.45 g/mol
Exact Mass353.13
IUPAC Name(2S)-4-(2-methyl-6-pyridin-4-ylpyrimidin-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)morpholine
SMILESCc1csc([C@@H]2CN(c3cc(-c4ccncc4)nc(C)n3)CCO2)n1
InChIInChI=1S/C18H19N5OS/c1-12-11-25-18(20-12)16-10-23(7-8-24-16)17-9-15(21-13(2)22-17)14-3-5-19-6-4-14/h3-6,9,11,16H,7-8,10H2,1-2H3/t16-/m0/s1
InChIKeyBGIGCTVPIUSVEO-INIZCTEOSA-N
XLogP3.19
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-(2-methyl-4-pyridinyl)-2-(4-methyl-1,3-thiazol-2-yl)morpholine
CID 133464291
(2S)-2-(4-methyl-1,3-thiazol-2-yl)-4-quinoxalin-2-ylmorpholine
CID 95138385
4-(3,5-dichloro-2-pyridinyl)-2-(4-methyl-1,3-thiazol-2-yl)morpholine
CID 126803952
4-[3-(3,5-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine
CID 166190766
4-(6-benzylsulfanylpyrazin-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)morpholine
CID 133389470
[1-[6-[2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133300552
1-(2-methyl-6-pyridin-4-ylpyrimidin-4-yl)piperidine-4-carboxylic acid
CID 56767853
2-methyl-6-(4-pyrazin-2-ylmorpholin-2-yl)pyrimidin-4-amine
CID 110271825
2-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-3-yl]-4-methyl-1,3-thiazole
CID 133328206
4-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)-2-thiophen-2-ylmorpholine
CID 133363568
2-(2,6-dimethylpyrimidin-4-yl)-4-(4,6-dimethylpyrimidin-2-yl)morpholine
CID 110115953
4-(6-ethyl-2-methylpyrimidin-4-yl)-2-thiophen-3-ylmorpholine
CID 133472437

Frequently Asked Questions

What is the IUPAC name of (2S)-4-(2-methyl-6-pyridin-4-ylpyrimidin-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)morpholine?
The IUPAC name of (2S)-4-(2-methyl-6-pyridin-4-ylpyrimidin-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)morpholine (CID 97073743) is (2S)-4-(2-methyl-6-pyridin-4-ylpyrimidin-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)morpholine.
What is the SMILES notation for (2S)-4-(2-methyl-6-pyridin-4-ylpyrimidin-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)morpholine?
The canonical SMILES for (2S)-4-(2-methyl-6-pyridin-4-ylpyrimidin-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)morpholine is Cc1csc([C@@H]2CN(c3cc(-c4ccncc4)nc(C)n3)CCO2)n1.
What is the InChIKey of (2S)-4-(2-methyl-6-pyridin-4-ylpyrimidin-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)morpholine?
The InChIKey is BGIGCTVPIUSVEO-INIZCTEOSA-N. The full InChI is InChI=1S/C18H19N5OS/c1-12-11-25-18(20-12)16-10-23(7-8-24-16)17-9-15(21-13(2)22-17)14-3-5-19-6-4-14/h3-6,9,11,16H,7-8,10H2,1-2H3/t16-/m0/s1.
What are the key properties of (2S)-4-(2-methyl-6-pyridin-4-ylpyrimidin-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)morpholine?
(2S)-4-(2-methyl-6-pyridin-4-ylpyrimidin-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)morpholine has a molecular weight of 353.45 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(2-methyl-6-pyridin-4-ylpyrimidin-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)morpholine is sourced from PubChem (CID 97073743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).