N-[3-[6-chloro-2-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-yl]oxycyclobutyl]-N-methylacetamide

C16H23ClN4O3 — CID 118638321

IUPACN-[3-[6-chloro-2-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-yl]oxycyclobutyl]-N-methylacetamide
SMILESCC(=O)N(C)C1CC(Oc2cc(Cl)nc(N3CCOC[C@@H]3C)n2)C1
InChIInChI=1S/C16H23ClN4O3/c1-10-9-23-5-4-21(10)16-18-14(17)8-15(19-16)24-13-6-12(7-13)20(3)11(2)22/h8,10,12-13H,4-7,9H2,1-3H3/t10-,12?,13?/m0/s1
InChIKeyBUFLKGBIFBVCMB-PKSQDBQZSA-N
MW354.84 g/mol
LogP1.74
Rot. Bonds4

About N-[3-[6-chloro-2-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-yl]oxycyclobutyl]-N-methylacetamide

N-[3-[6-chloro-2-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-yl]oxycyclobutyl]-N-methylacetamide (PubChem CID 118638321) has the molecular formula C16H23ClN4O3 and a molecular weight of 354.84 g/mol. Its IUPAC name is N-[3-[6-chloro-2-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-yl]oxycyclobutyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[3-[6-chloro-2-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-yl]oxycyclobutyl]-N-methylacetamide
PubChem CID118638321
Molecular FormulaC16H23ClN4O3
Molecular Weight354.84 g/mol
Exact Mass354.15
IUPAC NameN-[3-[6-chloro-2-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-yl]oxycyclobutyl]-N-methylacetamide
SMILESCC(=O)N(C)C1CC(Oc2cc(Cl)nc(N3CCOC[C@@H]3C)n2)C1
InChIInChI=1S/C16H23ClN4O3/c1-10-9-23-5-4-21(10)16-18-14(17)8-15(19-16)24-13-6-12(7-13)20(3)11(2)22/h8,10,12-13H,4-7,9H2,1-3H3/t10-,12?,13?/m0/s1
InChIKeyBUFLKGBIFBVCMB-PKSQDBQZSA-N
XLogP1.74
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-chloro-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-3-methylmorpholine
CID 123801845
tert-butyl N-[1-[6-chloro-2-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-yl]cyclobutyl]-N-methylcarbamate
CID 121428561
4-[4-chloro-6-[(3S)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]-3-methylmorpholine
CID 139520999
4-chloro-1-methyl-6-[(3S)-3-methylmorpholin-4-yl]pyrimidin-2-one
CID 121448447
(3R)-3-methyl-4-[4-methyl-6-[(3S)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]morpholine
CID 155440037
(3R)-3-methyl-4-[4-methyl-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]morpholine
CID 155439964
4-(6-chloropyrazin-2-yl)-3-methylmorpholine
CID 61360365
6-chloro-2-(3-methylmorpholin-4-yl)pyridine-3-carboxylic acid
CID 55185257
N-[3-[6-(2-aminopyrimidin-5-yl)-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]oxycyclobutyl]-N-methylacetamide
CID 118638329
[7-chloro-3-(3-methylmorpholin-4-yl)quinolin-2-yl] hydrogen carbonate
CID 67749597
(3S)-4-[7-chloro-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine
CID 59703371
(2S)-N-[3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxycyclobutyl]-2-hydroxy-N-methylpropanamide
CID 118638278

Frequently Asked Questions

What is the IUPAC name of N-[3-[6-chloro-2-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-yl]oxycyclobutyl]-N-methylacetamide?
The IUPAC name of N-[3-[6-chloro-2-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-yl]oxycyclobutyl]-N-methylacetamide (CID 118638321) is N-[3-[6-chloro-2-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-yl]oxycyclobutyl]-N-methylacetamide.
What is the SMILES notation for N-[3-[6-chloro-2-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-yl]oxycyclobutyl]-N-methylacetamide?
The canonical SMILES for N-[3-[6-chloro-2-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-yl]oxycyclobutyl]-N-methylacetamide is CC(=O)N(C)C1CC(Oc2cc(Cl)nc(N3CCOC[C@@H]3C)n2)C1.
What is the InChIKey of N-[3-[6-chloro-2-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-yl]oxycyclobutyl]-N-methylacetamide?
The InChIKey is BUFLKGBIFBVCMB-PKSQDBQZSA-N. The full InChI is InChI=1S/C16H23ClN4O3/c1-10-9-23-5-4-21(10)16-18-14(17)8-15(19-16)24-13-6-12(7-13)20(3)11(2)22/h8,10,12-13H,4-7,9H2,1-3H3/t10-,12?,13?/m0/s1.
What are the key properties of N-[3-[6-chloro-2-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-yl]oxycyclobutyl]-N-methylacetamide?
N-[3-[6-chloro-2-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-yl]oxycyclobutyl]-N-methylacetamide has a molecular weight of 354.84 g/mol, XLogP of 1.74, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[6-chloro-2-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-yl]oxycyclobutyl]-N-methylacetamide is sourced from PubChem (CID 118638321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).