(2S)-2-(5-chlorothiophen-2-yl)-4-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)morpholine

C19H19ClN4OS — CID 100630788

IUPAC(2S)-2-(5-chlorothiophen-2-yl)-4-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)morpholine
SMILESCCc1cc(N2CCO[C@H](c3ccc(Cl)s3)C2)nc(-c2ccncc2)n1
InChIInChI=1S/C19H19ClN4OS/c1-2-14-11-18(23-19(22-14)13-5-7-21-8-6-13)24-9-10-25-15(12-24)16-3-4-17(20)26-16/h3-8,11,15H,2,9-10,12H2,1H3/t15-/m0/s1
InChIKeyYSZRCOBKTWEQBG-HNNXBMFYSA-N
MW386.91 g/mol
LogP4.39
Rot. Bonds4

About (2S)-2-(5-chlorothiophen-2-yl)-4-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)morpholine

(2S)-2-(5-chlorothiophen-2-yl)-4-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)morpholine (PubChem CID 100630788) has the molecular formula C19H19ClN4OS and a molecular weight of 386.91 g/mol. Its IUPAC name is (2S)-2-(5-chlorothiophen-2-yl)-4-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)morpholine.

Molecular Properties

Compound Name(2S)-2-(5-chlorothiophen-2-yl)-4-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)morpholine
PubChem CID100630788
Molecular FormulaC19H19ClN4OS
Molecular Weight386.91 g/mol
Exact Mass386.10
IUPAC Name(2S)-2-(5-chlorothiophen-2-yl)-4-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)morpholine
SMILESCCc1cc(N2CCO[C@H](c3ccc(Cl)s3)C2)nc(-c2ccncc2)n1
InChIInChI=1S/C19H19ClN4OS/c1-2-14-11-18(23-19(22-14)13-5-7-21-8-6-13)24-9-10-25-15(12-24)16-3-4-17(20)26-16/h3-8,11,15H,2,9-10,12H2,1H3/t15-/m0/s1
InChIKeyYSZRCOBKTWEQBG-HNNXBMFYSA-N
XLogP4.39
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.91
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-chloro-4-fluorophenyl)-4-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)morpholine
CID 133294273
4-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-2-(5-methylfuran-2-yl)morpholine
CID 119039238
4-[6-ethyl-2-(4-nitrophenyl)pyrimidin-4-yl]-2-thiophen-2-ylmorpholine
CID 133363720
1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)pyrrolidin-3-amine
CID 110277725
2-(2-chlorophenyl)-4-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)morpholine
CID 133294593
1-[4-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-2-methylpiperazin-1-yl]propan-2-ol
CID 133294882
[(3S)-1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-3-yl]methanol
CID 95337185
1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-N-phenylpyrrolidin-3-amine
CID 133294122
6-ethyl-N-[1-(4-methylmorpholin-2-yl)ethyl]-2-pyridin-4-ylpyrimidin-4-amine
CID 133386488
4-(6-ethyl-2-methylpyrimidin-4-yl)-2-thiophen-3-ylmorpholine
CID 133472437
5-[1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-4-yl]-3-phenyl-1,2,4-oxadiazole
CID 133294642
2-[4-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperazin-1-yl]propanamide
CID 133349733

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(5-chlorothiophen-2-yl)-4-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)morpholine?
The IUPAC name of (2S)-2-(5-chlorothiophen-2-yl)-4-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)morpholine (CID 100630788) is (2S)-2-(5-chlorothiophen-2-yl)-4-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)morpholine.
What is the SMILES notation for (2S)-2-(5-chlorothiophen-2-yl)-4-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)morpholine?
The canonical SMILES for (2S)-2-(5-chlorothiophen-2-yl)-4-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)morpholine is CCc1cc(N2CCO[C@H](c3ccc(Cl)s3)C2)nc(-c2ccncc2)n1.
What is the InChIKey of (2S)-2-(5-chlorothiophen-2-yl)-4-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)morpholine?
The InChIKey is YSZRCOBKTWEQBG-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H19ClN4OS/c1-2-14-11-18(23-19(22-14)13-5-7-21-8-6-13)24-9-10-25-15(12-24)16-3-4-17(20)26-16/h3-8,11,15H,2,9-10,12H2,1H3/t15-/m0/s1.
What are the key properties of (2S)-2-(5-chlorothiophen-2-yl)-4-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)morpholine?
(2S)-2-(5-chlorothiophen-2-yl)-4-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)morpholine has a molecular weight of 386.91 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(5-chlorothiophen-2-yl)-4-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)morpholine is sourced from PubChem (CID 100630788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).